Coumarins and derivatives

Aromatic organic compounds that contain a benzene ring with two adjacent hydrogen atoms replaced by a lactone-like chain, forming a second six-membered heterocycle that shares two carbons with the benzene ring with the formula: C9H6O2.

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136 – 150 of 579 results

136

2-Oxo-2H-chromen-7-yl Trifluoromethanesulfonate 98.0+%, TCI America™

CAS: 108530-10-5 Molecular Formula: C10H5F3O5S Molecular Weight (g/mol): 294.2 MDL Number: MFCD18382236 InChI Key: RHZZAJVDTLUWRD-UHFFFAOYSA-N Synonym: Trifluoromethanesulfonic Acid 2-Oxo-2H-chromen-7-yl Ester, 7-Coumaryl Trifluoromethanesulfonate, 7-Coumaryl Triflate PubChem CID: 13704479 IUPAC Name: (2-oxochromen-7-yl) trifluoromethanesulfonate SMILES: C1=CC(=CC2=C1C=CC(=O)O2)OS(=O)(=O)C(F)(F)F

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Specifications

PubChem CID	13704479
CAS	108530-10-5
Molecular Weight (g/mol)	294.2
MDL Number	MFCD18382236
SMILES	C1=CC(=CC2=C1C=CC(=O)O2)OS(=O)(=O)C(F)(F)F
Synonym	Trifluoromethanesulfonic Acid 2-Oxo-2H-chromen-7-yl Ester, 7-Coumaryl Trifluoromethanesulfonate, 7-Coumaryl Triflate
IUPAC Name	(2-oxochromen-7-yl) trifluoromethanesulfonate
InChI Key	RHZZAJVDTLUWRD-UHFFFAOYSA-N
Molecular Formula	C10H5F3O5S

137

Osthole 98.0+%, TCI America™

CAS: 484-12-8 Molecular Formula: C15H16O3 Molecular Weight (g/mol): 244.29 MDL Number: MFCD00076049 InChI Key: MBRLOUHOWLUMFF-UHFFFAOYSA-N Synonym: 7-Methoxy-8-(3-methyl-2-butenyl)coumarin PubChem CID: 10228 ChEBI: CHEBI:69832 IUPAC Name: 7-methoxy-8-(3-methylbut-2-enyl)chromen-2-one SMILES: CC(=CCC1=C(C=CC2=C1OC(=O)C=C2)OC)C

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Specifications

PubChem CID	10228
CAS	484-12-8
Molecular Weight (g/mol)	244.29
ChEBI	CHEBI:69832
MDL Number	MFCD00076049
SMILES	CC(=CCC1=C(C=CC2=C1OC(=O)C=C2)OC)C
Synonym	7-Methoxy-8-(3-methyl-2-butenyl)coumarin
IUPAC Name	7-methoxy-8-(3-methylbut-2-enyl)chromen-2-one
InChI Key	MBRLOUHOWLUMFF-UHFFFAOYSA-N
Molecular Formula	C15H16O3

138

Hexyl 7-(Diethylamino)coumarin-3-carboxylate 98.0+%, TCI America™

CAS: 851963-03-6 Molecular Formula: C20H27NO4 Molecular Weight (g/mol): 345.439 MDL Number: MFCD06797113 InChI Key: TYEFUKSNTLMNBV-UHFFFAOYSA-N Synonym: 7-(Diethylamino)coumarin-3-carboxylic Acid Hexyl Ester PubChem CID: 44629745 IUPAC Name: hexyl 7-(diethylamino)-2-oxochromene-3-carboxylate SMILES: CCCCCCOC(=O)C1=CC2=C(C=C(C=C2)N(CC)CC)OC1=O

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PubChem CID	44629745
CAS	851963-03-6
Molecular Weight (g/mol)	345.439
MDL Number	MFCD06797113
SMILES	CCCCCCOC(=O)C1=CC2=C(C=C(C=C2)N(CC)CC)OC1=O
Synonym	7-(Diethylamino)coumarin-3-carboxylic Acid Hexyl Ester
IUPAC Name	hexyl 7-(diethylamino)-2-oxochromene-3-carboxylate
InChI Key	TYEFUKSNTLMNBV-UHFFFAOYSA-N
Molecular Formula	C20H27NO4

139

N-Succinimidyl 7-Methoxycoumarin-3-carboxylate 98.0+%, TCI America™

CAS: 150321-92-9 Molecular Formula: C15H11NO7 Molecular Weight (g/mol): 317.253 MDL Number: MFCD00467593 InChI Key: JMQAALOXLOSYCQ-UHFFFAOYSA-N Synonym: 7-Methoxycoumarin-3-carboxylic Acid N-Succinimidyl Ester PubChem CID: 2760554 IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 7-methoxy-2-oxochromene-3-carboxylate SMILES: COC1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)ON3C(=O)CCC3=O

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Specifications

PubChem CID	2760554
CAS	150321-92-9
Molecular Weight (g/mol)	317.253
MDL Number	MFCD00467593
SMILES	COC1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)ON3C(=O)CCC3=O
Synonym	7-Methoxycoumarin-3-carboxylic Acid N-Succinimidyl Ester
IUPAC Name	(2,5-dioxopyrrolidin-1-yl) 7-methoxy-2-oxochromene-3-carboxylate
InChI Key	JMQAALOXLOSYCQ-UHFFFAOYSA-N
Molecular Formula	C15H11NO7

140

5,7-Dihydroxy-4-methylcoumarin 98.0+%, TCI America™

CAS: 2107-76-8 Molecular Formula: C10H8O4 Molecular Weight (g/mol): 192.17 MDL Number: MFCD00016966 InChI Key: QNVWGEJMXOQQPM-UHFFFAOYSA-N Synonym: 5,7-dihydroxy-4-methylcoumarin,5,7-dihydroxy-4-methyl-2h-chromen-2-one,4-methyllimetol,4-methyl-5,7-dihydroxycoumarin,2h-1-benzopyran-2-one, 5,7-dihydroxy-4-methyl,5,7-dihydroxy-4-methyl-2h-1-benzopyran-2-one,coumarin, 5,7-dihydroxy-4-methyl,5,7-dihydroxy-4-methyl-chromen-2-one,chembl12252,unii-vp62d4346m PubChem CID: 5354284 IUPAC Name: 5,7-dihydroxy-4-methylchromen-2-one SMILES: CC1=CC(=O)OC2=CC(=CC(=C12)O)O

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Specifications

PubChem CID	5354284
CAS	2107-76-8
Molecular Weight (g/mol)	192.17
MDL Number	MFCD00016966
SMILES	CC1=CC(=O)OC2=CC(=CC(=C12)O)O
Synonym	5,7-dihydroxy-4-methylcoumarin,5,7-dihydroxy-4-methyl-2h-chromen-2-one,4-methyllimetol,4-methyl-5,7-dihydroxycoumarin,2h-1-benzopyran-2-one, 5,7-dihydroxy-4-methyl,5,7-dihydroxy-4-methyl-2h-1-benzopyran-2-one,coumarin, 5,7-dihydroxy-4-methyl,5,7-dihydroxy-4-methyl-chromen-2-one,chembl12252,unii-vp62d4346m
IUPAC Name	5,7-dihydroxy-4-methylchromen-2-one
InChI Key	QNVWGEJMXOQQPM-UHFFFAOYSA-N
Molecular Formula	C10H8O4

141

5-Methylumbelliferone 95.0+%, TCI America™

CAS: 7249-26-5 Molecular Formula: C10H8O3 Molecular Weight (g/mol): 176.171 MDL Number: MFCD00488356 InChI Key: QNDMQTVAGWUUDS-UHFFFAOYSA-N Synonym: 7-Hydroxy-5-methylcoumarin PubChem CID: 5355639 IUPAC Name: 7-hydroxy-5-methylchromen-2-one SMILES: CC1=CC(=CC2=C1C=CC(=O)O2)O

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Specifications

PubChem CID	5355639
CAS	7249-26-5
Molecular Weight (g/mol)	176.171
MDL Number	MFCD00488356
SMILES	CC1=CC(=CC2=C1C=CC(=O)O2)O
Synonym	7-Hydroxy-5-methylcoumarin
IUPAC Name	7-hydroxy-5-methylchromen-2-one
InChI Key	QNDMQTVAGWUUDS-UHFFFAOYSA-N
Molecular Formula	C10H8O3

142

4-Hydroxy-3-nitrocoumarin 98.0+%, TCI America™

CAS: 20261-31-8 Molecular Formula: C9H5NO5 Molecular Weight (g/mol): 207.141 MDL Number: MFCD00051671 InChI Key: NZQAQAUWFHMVEM-UHFFFAOYSA-N Synonym: 4-hydroxy-3-nitrocoumarin,4-hydroxy-3-nitro-2h-chromen-2-one,3-nitro-4-hydroxycoumarin,2h-1-benzopyran-2-one, 4-hydroxy-3-nitro,2-hydroxy-3-nitrochromen-4-one,4-hydroxy-3-nitro-chromen-2-one,2h-1-benzopyran-2-one,4-hydroxy-3-nitro,4-hydroxy-3-hydroxy oxido amino-2h-chromen-2-one,acmc-20amh1,maybridge1_005221 PubChem CID: 54682640 IUPAC Name: 4-hydroxy-3-nitrochromen-2-one SMILES: C1=CC=C2C(=C1)C(=C(C(=O)O2)[N+](=O)[O-])O

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Specifications

PubChem CID	54682640
CAS	20261-31-8
Molecular Weight (g/mol)	207.141
MDL Number	MFCD00051671
SMILES	C1=CC=C2C(=C1)C(=C(C(=O)O2)[N+](=O)[O-])O
Synonym	4-hydroxy-3-nitrocoumarin,4-hydroxy-3-nitro-2h-chromen-2-one,3-nitro-4-hydroxycoumarin,2h-1-benzopyran-2-one, 4-hydroxy-3-nitro,2-hydroxy-3-nitrochromen-4-one,4-hydroxy-3-nitro-chromen-2-one,2h-1-benzopyran-2-one,4-hydroxy-3-nitro,4-hydroxy-3-hydroxy oxido amino-2h-chromen-2-one,acmc-20amh1,maybridge1_005221
IUPAC Name	4-hydroxy-3-nitrochromen-2-one
InChI Key	NZQAQAUWFHMVEM-UHFFFAOYSA-N
Molecular Formula	C9H5NO5

143

3-(2-Benzothiazolyl)-7-(diethylamino)coumarin 98.0+%, TCI America™

CAS: 38215-36-0 Molecular Formula: C20H18N2O2S Molecular Weight (g/mol): 350.436 MDL Number: MFCD00041869 InChI Key: VBVAVBCYMYWNOU-UHFFFAOYSA-N Synonym: coumarin 6,3-2-benzothiazolyl-7-diethylamino coumarin,2h-1-benzopyran-2-one, 3-2-benzothiazolyl-7-diethylamino,3-benzo d thiazol-2-yl-7-diethylamino-2h-chromen-2-one,3-1,3-benzothiazol-2-yl-7-diethylamino-2h-chromen-2-one,3-1,3-benzothiazol-2-yl-7-diethylamino chromen-2-one,3-2-benzthiazolyl-7-diethylaminocoumarin,3-2-benzothiazolyl-n,n-diethylumbelliferylamine,3-benzothiazol-2-yl-7-diethylamino chromen-2-one,coumarin-6 PubChem CID: 100334 ChEBI: CHEBI:51942 IUPAC Name: 3-(1,3-benzothiazol-2-yl)-7-(diethylamino)chromen-2-one SMILES: CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC4=CC=CC=C4S3

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Specifications

PubChem CID	100334
CAS	38215-36-0
Molecular Weight (g/mol)	350.436
ChEBI	CHEBI:51942
MDL Number	MFCD00041869
SMILES	CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC4=CC=CC=C4S3
Synonym	coumarin 6,3-2-benzothiazolyl-7-diethylamino coumarin,2h-1-benzopyran-2-one, 3-2-benzothiazolyl-7-diethylamino,3-benzo d thiazol-2-yl-7-diethylamino-2h-chromen-2-one,3-1,3-benzothiazol-2-yl-7-diethylamino-2h-chromen-2-one,3-1,3-benzothiazol-2-yl-7-diethylamino chromen-2-one,3-2-benzthiazolyl-7-diethylaminocoumarin,3-2-benzothiazolyl-n,n-diethylumbelliferylamine,3-benzothiazol-2-yl-7-diethylamino chromen-2-one,coumarin-6
IUPAC Name	3-(1,3-benzothiazol-2-yl)-7-(diethylamino)chromen-2-one
InChI Key	VBVAVBCYMYWNOU-UHFFFAOYSA-N
Molecular Formula	C20H18N2O2S

144

8-Acetyl-7-hydroxy-4-methylcoumarin 98.0+%, TCI America™

CAS: 2555-29-5 Molecular Formula: C12H10O4 Molecular Weight (g/mol): 218.21 MDL Number: MFCD00100602 InChI Key: WZOMQVFUPMLOGT-UHFFFAOYSA-N Synonym: 8-Acetyl-4-methylumbelliferone PubChem CID: 5324648 IUPAC Name: 8-acetyl-7-hydroxy-4-methyl-2H-chromen-2-one SMILES: CC(=O)C1=C2OC(=O)C=C(C)C2=CC=C1O

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Specifications

PubChem CID	5324648
CAS	2555-29-5
Molecular Weight (g/mol)	218.21
MDL Number	MFCD00100602
SMILES	CC(=O)C1=C2OC(=O)C=C(C)C2=CC=C1O
Synonym	8-Acetyl-4-methylumbelliferone
IUPAC Name	8-acetyl-7-hydroxy-4-methyl-2H-chromen-2-one
InChI Key	WZOMQVFUPMLOGT-UHFFFAOYSA-N
Molecular Formula	C12H10O4

145

7-Hydroxycoumarin-3-carboxylic Acid 98.0+%, TCI America™

CAS: 779-27-1 Molecular Formula: C10H6O5 Molecular Weight (g/mol): 206.15 MDL Number: MFCD00017491 InChI Key: LKLWLDOUZJEHDY-UHFFFAOYSA-N Synonym: Umbelliferone-3-carboxylic Acid PubChem CID: 5337757 IUPAC Name: 7-hydroxy-2-oxo-2H-chromene-3-carboxylic acid SMILES: OC(=O)C1=CC2=CC=C(O)C=C2OC1=O

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Specifications

PubChem CID	5337757
CAS	779-27-1
Molecular Weight (g/mol)	206.15
MDL Number	MFCD00017491
SMILES	OC(=O)C1=CC2=CC=C(O)C=C2OC1=O
Synonym	Umbelliferone-3-carboxylic Acid
IUPAC Name	7-hydroxy-2-oxo-2H-chromene-3-carboxylic acid
InChI Key	LKLWLDOUZJEHDY-UHFFFAOYSA-N
Molecular Formula	C10H6O5

146

3-Acetylcoumarin 98.0+%, TCI America™

CAS: 3949-36-8 Molecular Formula: C11H8O3 Molecular Weight (g/mol): 188.182 MDL Number: MFCD00006853 InChI Key: CSPIFKKOBWYOEX-UHFFFAOYSA-N Synonym: 3-acetylcoumarin,3-acetyl-2h-chromen-2-one,coumarin, 3-acetyl,2h-1-benzopyran-2-one, 3-acetyl,3-acetyl-2-oxochromene,3-acetylcoumarine,pubchem8664,maybridge1_000885,prestwick0_000891,prestwick1_000891 PubChem CID: 77553 IUPAC Name: 3-acetylchromen-2-one SMILES: CC(=O)C1=CC2=CC=CC=C2OC1=O

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Specifications

PubChem CID	77553
CAS	3949-36-8
Molecular Weight (g/mol)	188.182
MDL Number	MFCD00006853
SMILES	CC(=O)C1=CC2=CC=CC=C2OC1=O
Synonym	3-acetylcoumarin,3-acetyl-2h-chromen-2-one,coumarin, 3-acetyl,2h-1-benzopyran-2-one, 3-acetyl,3-acetyl-2-oxochromene,3-acetylcoumarine,pubchem8664,maybridge1_000885,prestwick0_000891,prestwick1_000891
IUPAC Name	3-acetylchromen-2-one
InChI Key	CSPIFKKOBWYOEX-UHFFFAOYSA-N
Molecular Formula	C11H8O3

147

7-Acetoxy-4-methylcoumarin 98.0+%, TCI America™

CAS: 5-9-2747 Molecular Formula: C12H10O4 Molecular Weight (g/mol): 218.21 MDL Number: MFCD00006865 InChI Key: HXVZGASCDAGAPS-UHFFFAOYSA-N Synonym: 7-acetoxy-4-methylcoumarin,4-methylumbelliferyl acetate,4-methyl-2-oxo-2h-chromen-7-yl acetate,mu-ac,2h-1-benzopyran-2-one, 7-acetyloxy-4-methyl,7-acetyl-4-methylcoumarin,beta-methylumbelliferyl acetate,7-acetyloxy-4-methyl-2-benzopyrone,4-methyl-2-oxochromen-7-yl acetate,4-methyl-7-acetyloxy coumarin PubChem CID: 366 ChEBI: CHEBI:17763 IUPAC Name: (4-methyl-2-oxochromen-7-yl) acetate SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C

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Specifications

PubChem CID	366
CAS	5-9-2747
Molecular Weight (g/mol)	218.21
ChEBI	CHEBI:17763
MDL Number	MFCD00006865
SMILES	CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C
Synonym	7-acetoxy-4-methylcoumarin,4-methylumbelliferyl acetate,4-methyl-2-oxo-2h-chromen-7-yl acetate,mu-ac,2h-1-benzopyran-2-one, 7-acetyloxy-4-methyl,7-acetyl-4-methylcoumarin,beta-methylumbelliferyl acetate,7-acetyloxy-4-methyl-2-benzopyrone,4-methyl-2-oxochromen-7-yl acetate,4-methyl-7-acetyloxy coumarin
IUPAC Name	(4-methyl-2-oxochromen-7-yl) acetate
InChI Key	HXVZGASCDAGAPS-UHFFFAOYSA-N
Molecular Formula	C12H10O4

148

Coumarin 153 98.0+%, TCI America™

CAS: 53518-18-6 Molecular Formula: C16H14F3NO2 Molecular Weight (g/mol): 309.288 MDL Number: MFCD00041843 InChI Key: VSSSHNJONFTXHS-UHFFFAOYSA-N Synonym: coumarin 153,pilot 495,c 6f,coumarin 540a,1h,5h,11h-1 benzopyrano 6,7,8-ij quinolizin-11-one, 2,3,6,7-tetrahydro-9-trifluoromethyl,2,3,6,7-tetrahydro-9-trifluoromethyl-1h,5h,11h-1 benzopyrano 6,7,8-ij quinolizin-11-one,9-trifluoromethyl-2,3,6,7-tetrahydro-1h,5h,11h-pyrano 2,3-f pyrido 3,2,1-ij quinolin-11-one,8-trifluoromethyl-2,3,5,6-tetrahydro-1h,4h-11-oxa-3a-aza-benzo de anthracen-10-one PubChem CID: 72652 ChEBI: CHEBI:51773 SMILES: C1CC2=C3C(=C4C(=C2)C(=CC(=O)O4)C(F)(F)F)CCCN3C1

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Specifications

PubChem CID	72652
CAS	53518-18-6
Molecular Weight (g/mol)	309.288
ChEBI	CHEBI:51773
MDL Number	MFCD00041843
SMILES	C1CC2=C3C(=C4C(=C2)C(=CC(=O)O4)C(F)(F)F)CCCN3C1
Synonym	coumarin 153,pilot 495,c 6f,coumarin 540a,1h,5h,11h-1 benzopyrano 6,7,8-ij quinolizin-11-one, 2,3,6,7-tetrahydro-9-trifluoromethyl,2,3,6,7-tetrahydro-9-trifluoromethyl-1h,5h,11h-1 benzopyrano 6,7,8-ij quinolizin-11-one,9-trifluoromethyl-2,3,6,7-tetrahydro-1h,5h,11h-pyrano 2,3-f pyrido 3,2,1-ij quinolin-11-one,8-trifluoromethyl-2,3,5,6-tetrahydro-1h,4h-11-oxa-3a-aza-benzo de anthracen-10-one
InChI Key	VSSSHNJONFTXHS-UHFFFAOYSA-N
Molecular Formula	C16H14F3NO2

149

6-Methylcoumarin 99.0+%, TCI America™

CAS: 92-48-8 Molecular Formula: C10H8O2 Molecular Weight (g/mol): 160.17 MDL Number: MFCD00006875 InChI Key: FXFYOPQLGGEACP-UHFFFAOYSA-N Synonym: 6-methylcoumarin,6-methylbenzopyrone,6-methyl-2h-chromen-2-one,toncarine,6-methyl coumarin,methyl coumarin,6-methylcoumarinic anhydride,coumarin, 6-methyl,6-methyl-1,2-benzopyrone,6-methylcumarin PubChem CID: 7092 ChEBI: CHEBI:563586 IUPAC Name: 6-methyl-2H-chromen-2-one SMILES: CC1=CC=C2OC(=O)C=CC2=C1

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Specifications

PubChem CID	7092
CAS	92-48-8
Molecular Weight (g/mol)	160.17
ChEBI	CHEBI:563586
MDL Number	MFCD00006875
SMILES	CC1=CC=C2OC(=O)C=CC2=C1
Synonym	6-methylcoumarin,6-methylbenzopyrone,6-methyl-2h-chromen-2-one,toncarine,6-methyl coumarin,methyl coumarin,6-methylcoumarinic anhydride,coumarin, 6-methyl,6-methyl-1,2-benzopyrone,6-methylcumarin
IUPAC Name	6-methyl-2H-chromen-2-one
InChI Key	FXFYOPQLGGEACP-UHFFFAOYSA-N
Molecular Formula	C10H8O2

150

iMDK, Tocris Bioscience™

CAS: 881970-80-5 Molecular Formula: C21H13FN2O2S Molecular Weight (g/mol): 376.405 InChI Key: IWFKQTWYILKFGE-UHFFFAOYSA-N Synonym: imdk,3-2-4-fluorobenzyl imidazo 2,1-b 1,3 thiazol-6-yl-2h-chromen-2-one,3-2-4-fluorophenyl methyl imidazo 2,1-b thiazol-6-yl-2h-1-benzopyran-2-one,3-2-4-fluorophenyl methyl imidazo 2,1-b 1,3 thiazol-6-yl chromen-2-one,3-2-4-fluorophenyl methyl imidazo 2,1-b 1,3-thiazolin-6-yl chromen-2-one PubChem CID: 15991416 IUPAC Name: 3-[2-[(4-fluorophenyl)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]chromen-2-one SMILES: C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CN4C=C(SC4=N3)CC5=CC=C(C=C5)F

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Specifications

PubChem CID	15991416
CAS	881970-80-5
Molecular Weight (g/mol)	376.405
SMILES	C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CN4C=C(SC4=N3)CC5=CC=C(C=C5)F
Synonym	imdk,3-2-4-fluorobenzyl imidazo 2,1-b 1,3 thiazol-6-yl-2h-chromen-2-one,3-2-4-fluorophenyl methyl imidazo 2,1-b thiazol-6-yl-2h-1-benzopyran-2-one,3-2-4-fluorophenyl methyl imidazo 2,1-b 1,3 thiazol-6-yl chromen-2-one,3-2-4-fluorophenyl methyl imidazo 2,1-b 1,3-thiazolin-6-yl chromen-2-one
IUPAC Name	3-[2-[(4-fluorophenyl)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]chromen-2-one
InChI Key	IWFKQTWYILKFGE-UHFFFAOYSA-N
Molecular Formula	C21H13FN2O2S

Coumarins and derivatives

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