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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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1 – 15 of 24 results
1

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

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
2

Coumarin 545 97.0+%, TCI America™

CAS: 85642-11-1 Molecular Formula: C22H18N2O2S Molecular Weight (g/mol): 374.458 InChI Key: WYZWJLZUSHFFOR-UHFFFAOYSA-N Synonym: 10-(2-Benzothiazolyl)-2,3,6,7-tetrahydro-1H,5H,11H-[1]benzopyrano[6,7,8-ij]quinolizin-11-one PubChem CID: 5237252 SMILES: C1CC2=C3C(=C4C(=C2)C=C(C(=O)O4)C5=NC6=CC=CC=C6S5)CCCN3C1

PubChem CID 5237252
CAS 85642-11-1
Molecular Weight (g/mol) 374.458
SMILES C1CC2=C3C(=C4C(=C2)C=C(C(=O)O4)C5=NC6=CC=CC=C6S5)CCCN3C1
Synonym 10-(2-Benzothiazolyl)-2,3,6,7-tetrahydro-1H,5H,11H-[1]benzopyrano[6,7,8-ij]quinolizin-11-one
InChI Key WYZWJLZUSHFFOR-UHFFFAOYSA-N
Molecular Formula C22H18N2O2S
3

Coumarin 525 97.0+%, TCI America™

CAS: 87331-47-3 Molecular Formula: C22H18N2O3 Molecular Weight (g/mol): 358.397 InChI Key: XYFLALJXCJWBPG-UHFFFAOYSA-N Synonym: 10-(2-Benzoxazolyl)-2,3,6,7-tetrahydro-1H,5H,11H-[1]benzopyrano[6,7,8-ij]quinolizin-11-one PubChem CID: 1371421 SMILES: C1CC2=C3C(=C4C(=C2)C=C(C(=O)O4)C5=NC6=CC=CC=C6O5)CCCN3C1

PubChem CID 1371421
CAS 87331-47-3
Molecular Weight (g/mol) 358.397
SMILES C1CC2=C3C(=C4C(=C2)C=C(C(=O)O4)C5=NC6=CC=CC=C6O5)CCCN3C1
Synonym 10-(2-Benzoxazolyl)-2,3,6,7-tetrahydro-1H,5H,11H-[1]benzopyrano[6,7,8-ij]quinolizin-11-one
InChI Key XYFLALJXCJWBPG-UHFFFAOYSA-N
Molecular Formula C22H18N2O3
4

Coumarin 545T 98.0+%, TCI America™

CAS: 155306-71-1 Molecular Formula: C26H26N2O2S Molecular Weight (g/mol): 430.566 MDL Number: MFCD03427187 InChI Key: MSDMPJCOOXURQD-UHFFFAOYSA-N Synonym: 10-(2-Benzothiazolyl)-2,3,6,7-tetrahydro-1,1,7,7-tetramethyl-1H,5H,11H-[1]benzopyrano[6,7,8-ij]quinolizin-11-one PubChem CID: 5112805 ChEBI: CHEBI:51896 SMILES: CC1(CCN2CCC(C3=C4C(=CC1=C32)C=C(C(=O)O4)C5=NC6=CC=CC=C6S5)(C)C)C

PubChem CID 5112805
CAS 155306-71-1
Molecular Weight (g/mol) 430.566
ChEBI CHEBI:51896
MDL Number MFCD03427187
SMILES CC1(CCN2CCC(C3=C4C(=CC1=C32)C=C(C(=O)O4)C5=NC6=CC=CC=C6S5)(C)C)C
Synonym 10-(2-Benzothiazolyl)-2,3,6,7-tetrahydro-1,1,7,7-tetramethyl-1H,5H,11H-[1]benzopyrano[6,7,8-ij]quinolizin-11-one
InChI Key MSDMPJCOOXURQD-UHFFFAOYSA-N
Molecular Formula C26H26N2O2S
5

Coumarin 521T 98.0+%, TCI America™

CAS: 114768-72-8 Molecular Formula: C21H25NO3 Molecular Weight (g/mol): 339.435 InChI Key: NGTDVJOJDMQAMI-UHFFFAOYSA-N Synonym: 10-Acetyl-2,3,6,7-tetrahydro-1,1,7,7-tetramethyl-1H,5H,11H-[1]benzopyrano[6,7,8-ij]quinolizin-11-one PubChem CID: 14365279 SMILES: CC(=O)C1=CC2=CC3=C4C(=C2OC1=O)C(CCN4CCC3(C)C)(C)C

PubChem CID 14365279
CAS 114768-72-8
Molecular Weight (g/mol) 339.435
SMILES CC(=O)C1=CC2=CC3=C4C(=C2OC1=O)C(CCN4CCC3(C)C)(C)C
Synonym 10-Acetyl-2,3,6,7-tetrahydro-1,1,7,7-tetramethyl-1H,5H,11H-[1]benzopyrano[6,7,8-ij]quinolizin-11-one
InChI Key NGTDVJOJDMQAMI-UHFFFAOYSA-N
Molecular Formula C21H25NO3
6

Coumarin 510 98.0+%, TCI America™

CAS: 87349-92-6 Molecular Formula: C20H18N2O2 Molecular Weight (g/mol): 318.376 MDL Number: MFCD00467042 InChI Key: OEEAIIVRKIVRNX-UHFFFAOYSA-N Synonym: 2,3,6,7-Tetrahydro-10-(3-pyridyl)-1H,5H,11H-[1]benzopyrano[6,7,8-ij]quinolizin-11-one PubChem CID: 9905078 SMILES: C1CC2=C3C(=C4C(=C2)C=C(C(=O)O4)C5=CN=CC=C5)CCCN3C1

PubChem CID 9905078
CAS 87349-92-6
Molecular Weight (g/mol) 318.376
MDL Number MFCD00467042
SMILES C1CC2=C3C(=C4C(=C2)C=C(C(=O)O4)C5=CN=CC=C5)CCCN3C1
Synonym 2,3,6,7-Tetrahydro-10-(3-pyridyl)-1H,5H,11H-[1]benzopyrano[6,7,8-ij]quinolizin-11-one
InChI Key OEEAIIVRKIVRNX-UHFFFAOYSA-N
Molecular Formula C20H18N2O2
7

Coumarin 498 98.0+%, TCI America™

CAS: 87331-48-4 Molecular Formula: C16H17NO4S Molecular Weight (g/mol): 319.38 MDL Number: MFCD00467041 InChI Key: DPJWIXMOCGJKDG-UHFFFAOYSA-N Synonym: 2,3,6,7-Tetrahydro-10-(methylsulfonyl)-1H,5H,11H-[1]benzopyrano[6,7,8-ij]quinolizin-11-one PubChem CID: 91972096 IUPAC Name: 5-methanesulfonyl-3-oxa-13-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1,5,7,9(17)-tetraen-4-one SMILES: CS(=O)(=O)C1=CC2=CC3=C4N(CCC3)CCCC4=C2OC1=O

PubChem CID 91972096
CAS 87331-48-4
Molecular Weight (g/mol) 319.38
MDL Number MFCD00467041
SMILES CS(=O)(=O)C1=CC2=CC3=C4N(CCC3)CCCC4=C2OC1=O
Synonym 2,3,6,7-Tetrahydro-10-(methylsulfonyl)-1H,5H,11H-[1]benzopyrano[6,7,8-ij]quinolizin-11-one
IUPAC Name 5-methanesulfonyl-3-oxa-13-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1,5,7,9(17)-tetraen-4-one
InChI Key DPJWIXMOCGJKDG-UHFFFAOYSA-N
Molecular Formula C16H17NO4S
8

Coumarin 337 98.0+%, TCI America™

CAS: 55804-68-7 Molecular Formula: C16H14N2O2 Molecular Weight (g/mol): 266.30 MDL Number: MFCD00051332 InChI Key: LGDDFMCJIHJNMK-UHFFFAOYSA-N Synonym: coumarin 337,1h,5h,11h-1 benzopyrano 6,7,8-ij quinolizine-10-carbonitrile, 2,3,6,7-tetrahydro-11-oxo,2,3,6,7-tetrahydro-11-oxo-1h,5h,11h-1 benzopyrano 6,7,8-ij quinolizine-10-carbonitrile,coumarin 523,pubchem13313,1h,11h-1 benzopyrano 6,7,8-ij quinolizine-10-carbonitrile, 2,3,6,7-tetrahydro-11-oxo,11-oxo-2,3,6,7-tetrahydro-1h,5h,11h-pyrano 2,3-f pyrido 3,2,1-ij quinoline-10-carbonitrile,1h,5h,11h-1 benzopyrano 6,7,8-ij quinolizine-10-carbonitrile,2,3,6,7-tetrahydro-11-oxo PubChem CID: 72654 IUPAC Name: 4-oxo-3-oxa-13-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1,5,7,9(17)-tetraene-5-carbonitrile SMILES: O=C1OC2=C3CCCN4CCCC(C=C2C=C1C#N)=C34

PubChem CID 72654
CAS 55804-68-7
Molecular Weight (g/mol) 266.30
MDL Number MFCD00051332
SMILES O=C1OC2=C3CCCN4CCCC(C=C2C=C1C#N)=C34
Synonym coumarin 337,1h,5h,11h-1 benzopyrano 6,7,8-ij quinolizine-10-carbonitrile, 2,3,6,7-tetrahydro-11-oxo,2,3,6,7-tetrahydro-11-oxo-1h,5h,11h-1 benzopyrano 6,7,8-ij quinolizine-10-carbonitrile,coumarin 523,pubchem13313,1h,11h-1 benzopyrano 6,7,8-ij quinolizine-10-carbonitrile, 2,3,6,7-tetrahydro-11-oxo,11-oxo-2,3,6,7-tetrahydro-1h,5h,11h-pyrano 2,3-f pyrido 3,2,1-ij quinoline-10-carbonitrile,1h,5h,11h-1 benzopyrano 6,7,8-ij quinolizine-10-carbonitrile,2,3,6,7-tetrahydro-11-oxo
IUPAC Name 4-oxo-3-oxa-13-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1,5,7,9(17)-tetraene-5-carbonitrile
InChI Key LGDDFMCJIHJNMK-UHFFFAOYSA-N
Molecular Formula C16H14N2O2
9

Coumarin 478 98.0+%, TCI America™

CAS: 41175-45-5 Molecular Formula: C18H19NO2 Molecular Weight (g/mol): 281.355 MDL Number: MFCD00041949 InChI Key: LLSRPENMALNOFW-UHFFFAOYSA-N Synonym: coumarin 106,coumarin 478,2,3,6,7,10,11-hexahydro-1h,5h-cyclopenta 3,4 1 benzopyrano 6,7,8-ij quinolizin-12 9h-one,1h,5h-cyclopenta 3,4 1 benzopyrano 6,7,8-ij quinolizin-12 9h-one, 2,3,6,7,10,11-hexahydro,3-oxa-16-azapentacyclo 10.7.1.0 2 , 1 ?.0?,?.0 1 ?, 2 ? icosa-1,5 9 ,10,12 20-tetraen-4-one,coumarin 107,1h,4 1 benzopyrano 6,7,8-ij quinolizin-12 9h-one, 2,3,6,7,10,11-hexahydro,1h,5h-cyclopenta 3,4 1 benzopyrano 6,7,8-ij quinolizin-12 9h-one, 2,3,6,7,10,11-hexahydro-9ci PubChem CID: 100336 SMILES: C1CC2=C(C1)C(=O)OC3=C4CCCN5C4=C(CCC5)C=C23

PubChem CID 100336
CAS 41175-45-5
Molecular Weight (g/mol) 281.355
MDL Number MFCD00041949
SMILES C1CC2=C(C1)C(=O)OC3=C4CCCN5C4=C(CCC5)C=C23
Synonym coumarin 106,coumarin 478,2,3,6,7,10,11-hexahydro-1h,5h-cyclopenta 3,4 1 benzopyrano 6,7,8-ij quinolizin-12 9h-one,1h,5h-cyclopenta 3,4 1 benzopyrano 6,7,8-ij quinolizin-12 9h-one, 2,3,6,7,10,11-hexahydro,3-oxa-16-azapentacyclo 10.7.1.0 2 , 1 ?.0?,?.0 1 ?, 2 ? icosa-1,5 9 ,10,12 20-tetraen-4-one,coumarin 107,1h,4 1 benzopyrano 6,7,8-ij quinolizin-12 9h-one, 2,3,6,7,10,11-hexahydro,1h,5h-cyclopenta 3,4 1 benzopyrano 6,7,8-ij quinolizin-12 9h-one, 2,3,6,7,10,11-hexahydro-9ci
InChI Key LLSRPENMALNOFW-UHFFFAOYSA-N
Molecular Formula C18H19NO2
10

MilliporeSigma™ 7-Amino-4-methylcoumarin, Calbiochem™,

CAS: 26093-31-2 Molecular Formula: C10H9NO2 Molecular Weight (g/mol): 175.19 MDL Number: MFCD00006868 InChI Key: GLNDAGDHSLMOKX-UHFFFAOYSA-N Synonym: 7-amino-4-methylcoumarin,coumarin 120,7-amino-4-methyl-2h-chromen-2-one,2h-1-benzopyran-2-one, 7-amino-4-methyl,coumarin, 7-amino-4-methyl,4-methyl-7-aminocoumarin,7-amino-4-methyl-chromen-2-one,unii-ocy3jct44x,ccris 4961,ocy3jct44x PubChem CID: 92249 ChEBI: CHEBI:51771 IUPAC Name: 7-amino-4-methyl-2H-chromen-2-one SMILES: CC1=CC(=O)OC2=CC(N)=CC=C12

PubChem CID 92249
CAS 26093-31-2
Molecular Weight (g/mol) 175.19
ChEBI CHEBI:51771
MDL Number MFCD00006868
SMILES CC1=CC(=O)OC2=CC(N)=CC=C12
Synonym 7-amino-4-methylcoumarin,coumarin 120,7-amino-4-methyl-2h-chromen-2-one,2h-1-benzopyran-2-one, 7-amino-4-methyl,coumarin, 7-amino-4-methyl,4-methyl-7-aminocoumarin,7-amino-4-methyl-chromen-2-one,unii-ocy3jct44x,ccris 4961,ocy3jct44x
IUPAC Name 7-amino-4-methyl-2H-chromen-2-one
InChI Key GLNDAGDHSLMOKX-UHFFFAOYSA-N
Molecular Formula C10H9NO2
11

7-Hydroxy-4-methylcoumarin-3-acetic Acid 97.0+%, TCI America™

CAS: 5852-10-8 Molecular Formula: C9H6N4O2 Molecular Weight (g/mol): 202.17 MDL Number: MFCD00467589 InChI Key: SGTFZCBIJHVSNT-UHFFFAOYSA-N Synonym: 4-Methylumbelliferone-3-acetic Acid PubChem CID: 5393149 IUPAC Name: 2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetic acid SMILES: CC1=C(C(=O)OC2=C1C=CC(=C2)O)CC(=O)O

PubChem CID 5393149
CAS 5852-10-8
Molecular Weight (g/mol) 202.17
MDL Number MFCD00467589
SMILES CC1=C(C(=O)OC2=C1C=CC(=C2)O)CC(=O)O
Synonym 4-Methylumbelliferone-3-acetic Acid
IUPAC Name 2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetic acid
InChI Key SGTFZCBIJHVSNT-UHFFFAOYSA-N
Molecular Formula C9H6N4O2
12
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Esculin hydrate, 97%

CAS: 531-75-9 Molecular Formula: C15H16O9 Molecular Weight (g/mol): 340.28 MDL Number: MFCD00149492 InChI Key: XHCADAYNFIFUHF-TYKRLAFXNA-N Synonym: esculin,aesculin,esculoside,--esculin,polychrome,6,7-dihydroxycoumarin-6-o-glucoside,aesculinum,esculine,esculetin 6-o-glucoside,6,7-dihydroxycoumarin 6-glucoside PubChem CID: 5281417 ChEBI: CHEBI:4853 IUPAC Name: 7-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one SMILES: OC[C@H]1O[C@@H](OC2=C(O)C=C3OC(=O)C=CC3=C2)[C@H](O)[C@@H](O)[C@@H]1O

PubChem CID 5281417
CAS 531-75-9
Molecular Weight (g/mol) 340.28
ChEBI CHEBI:4853
MDL Number MFCD00149492
SMILES OC[C@H]1O[C@@H](OC2=C(O)C=C3OC(=O)C=CC3=C2)[C@H](O)[C@@H](O)[C@@H]1O
Synonym esculin,aesculin,esculoside,--esculin,polychrome,6,7-dihydroxycoumarin-6-o-glucoside,aesculinum,esculine,esculetin 6-o-glucoside,6,7-dihydroxycoumarin 6-glucoside
IUPAC Name 7-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
InChI Key XHCADAYNFIFUHF-TYKRLAFXNA-N
Molecular Formula C15H16O9
13
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Coumarin-3-carboxylic acid, 98%

CAS: 531-81-7 Molecular Formula: C10H6O4 Molecular Weight (g/mol): 190.15 MDL Number: MFCD00006852 InChI Key: ACMLKANOGIVEPB-UHFFFAOYSA-N Synonym: coumarin-3-carboxylic acid,2-oxo-2h-chromene-3-carboxylic acid,3-carboxycoumarin,2-oxobenzopyran-3-carboxylic acid,g 1 rodenticide,2h-1-benzopyran-3-carboxylic acid, 2-oxo,2-oxo-2h-1-benzopyran-3-carboxylic acid,unii-v85uov8788,g 1 the rodenticide van,g 1 van PubChem CID: 10752 IUPAC Name: 2-oxochromene-3-carboxylic acid SMILES: C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)O

PubChem CID 10752
CAS 531-81-7
Molecular Weight (g/mol) 190.15
MDL Number MFCD00006852
SMILES C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)O
Synonym coumarin-3-carboxylic acid,2-oxo-2h-chromene-3-carboxylic acid,3-carboxycoumarin,2-oxobenzopyran-3-carboxylic acid,g 1 rodenticide,2h-1-benzopyran-3-carboxylic acid, 2-oxo,2-oxo-2h-1-benzopyran-3-carboxylic acid,unii-v85uov8788,g 1 the rodenticide van,g 1 van
IUPAC Name 2-oxochromene-3-carboxylic acid
InChI Key ACMLKANOGIVEPB-UHFFFAOYSA-N
Molecular Formula C10H6O4
14
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Scopoletin, 95%

CAS: 92-61-5 Molecular Formula: C10H8O4 Molecular Weight (g/mol): 192.17 MDL Number: MFCD00006872 InChI Key: RODXRVNMMDRFIK-UHFFFAOYSA-N Synonym: scopoletin,gelseminic acid,6-methylesculetin,7-hydroxy-6-methoxy-2h-chromen-2-one,chrysatropic acid,scopoletine,murrayetin,scopoletol,7-hydroxy-6-methoxycoumarin,6-o-methylesculetin PubChem CID: 5280460 ChEBI: CHEBI:17488 IUPAC Name: 7-hydroxy-6-methoxychromen-2-one SMILES: COC1=C(C=C2C(=C1)C=CC(=O)O2)O

PubChem CID 5280460
CAS 92-61-5
Molecular Weight (g/mol) 192.17
ChEBI CHEBI:17488
MDL Number MFCD00006872
SMILES COC1=C(C=C2C(=C1)C=CC(=O)O2)O
Synonym scopoletin,gelseminic acid,6-methylesculetin,7-hydroxy-6-methoxy-2h-chromen-2-one,chrysatropic acid,scopoletine,murrayetin,scopoletol,7-hydroxy-6-methoxycoumarin,6-o-methylesculetin
IUPAC Name 7-hydroxy-6-methoxychromen-2-one
InChI Key RODXRVNMMDRFIK-UHFFFAOYSA-N
Molecular Formula C10H8O4
15

iMDK, Tocris Bioscience™
GREENER_CHOICE SDP

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

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