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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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46 – 60 of 388 results
46

5,7-Dihydroxy-4-methylcoumarin, 98%

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

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
47

Coumarin 334, 96%

CAS: 55804-67-6 Molecular Formula: C17H17NO3 Molecular Weight (g/mol): 283.33 MDL Number: MFCD00051336 InChI Key: JBPCDMSEJVCNGV-UHFFFAOYSA-N Synonym: coumarin 334,9-acetyl-2,3,5,6-tetrahydro-1h,4h-11-oxa-3a-aza-benzo de anthracen-10-one,1h,5h,11h-1 benzopyrano 6,7,8-ij quinolizin-11-one, 10-acetyl-2,3,6,7-tetrahydro,10-acetyl-2,3,6,7-tetrahydro-1h,5h,11h-pyrano-2,3-f pyrido 3,2,1-ij quinolin-11-one,10-acetyl-2,3,6,7-tetrahydro-1h,5h,11h-pyrano 2,3-f pyrido 3,2,1-ij quinolin-11-one,coumarin-334,coumarin 521,coumarin 334, dye content 99 %,3-acetyl-6,7,9,10-tetrahydro-8h,11h-quinolizino 9,9a, 1-gh coumarin PubChem CID: 72655 IUPAC Name: 5-acetyl-3-oxa-13-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1,5,7,9(17)-tetraen-4-one SMILES: CC(=O)C1=CC2=CC3=C4N(CCC3)CCCC4=C2OC1=O

PubChem CID 72655
CAS 55804-67-6
Molecular Weight (g/mol) 283.33
MDL Number MFCD00051336
SMILES CC(=O)C1=CC2=CC3=C4N(CCC3)CCCC4=C2OC1=O
Synonym coumarin 334,9-acetyl-2,3,5,6-tetrahydro-1h,4h-11-oxa-3a-aza-benzo de anthracen-10-one,1h,5h,11h-1 benzopyrano 6,7,8-ij quinolizin-11-one, 10-acetyl-2,3,6,7-tetrahydro,10-acetyl-2,3,6,7-tetrahydro-1h,5h,11h-pyrano-2,3-f pyrido 3,2,1-ij quinolin-11-one,10-acetyl-2,3,6,7-tetrahydro-1h,5h,11h-pyrano 2,3-f pyrido 3,2,1-ij quinolin-11-one,coumarin-334,coumarin 521,coumarin 334, dye content 99 %,3-acetyl-6,7,9,10-tetrahydro-8h,11h-quinolizino 9,9a, 1-gh coumarin
IUPAC Name 5-acetyl-3-oxa-13-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1,5,7,9(17)-tetraen-4-one
InChI Key JBPCDMSEJVCNGV-UHFFFAOYSA-N
Molecular Formula C17H17NO3
48

Dicumarol, 99%

CAS: 66-76-2 Molecular Formula: C19H12O6 Molecular Weight (g/mol): 336.30 MDL Number: MFCD00006857 InChI Key: DOBMPNYZJYQDGZ-UHFFFAOYSA-N Synonym: dicumarol,dicoumarol,bishydroxycoumarin,dicoumarin,melitoxin,antitrombosin,baracoumin,dicoumal,dicumarine,acadyl PubChem CID: 54676038 ChEBI: CHEBI:4513 IUPAC Name: 4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)methyl]chromen-2-one SMILES: OC1=C(CC2=C(O)C3=CC=CC=C3OC2=O)C(=O)OC2=CC=CC=C12

PubChem CID 54676038
CAS 66-76-2
Molecular Weight (g/mol) 336.30
ChEBI CHEBI:4513
MDL Number MFCD00006857
SMILES OC1=C(CC2=C(O)C3=CC=CC=C3OC2=O)C(=O)OC2=CC=CC=C12
Synonym dicumarol,dicoumarol,bishydroxycoumarin,dicoumarin,melitoxin,antitrombosin,baracoumin,dicoumal,dicumarine,acadyl
IUPAC Name 4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)methyl]chromen-2-one
InChI Key DOBMPNYZJYQDGZ-UHFFFAOYSA-N
Molecular Formula C19H12O6
49

7-Hydroxycoumarinyl-4-acetic acid, 97%

CAS: 6950-82-9 Molecular Formula: C11H8O5 Molecular Weight (g/mol): 220.18 MDL Number: MFCD00037563 InChI Key: BNHPMQBVNXMPDU-UHFFFAOYSA-N Synonym: 7-hydroxycoumarin-4-acetic acid,2-7-hydroxy-2-oxo-2h-chromen-4-yl acetic acid,umbelliferone-4-acetic acid,7-hydroxy-2-oxo-2h-1-benzopyran-4-acetic acid,chembl12253,2-7-hydroxy-2-oxochromen-4-yl acetic acid,7-hydroxy-4-coumarinylacetic acid,2h-1-benzopyran-4-acetic acid, 7-hydroxy-2-oxo,7-hydroxycoumarin-4-yl acetic acid,7-hydroxy-2-oxochromen-4-yl acetic acid PubChem CID: 5338490 IUPAC Name: 2-(7-hydroxy-2-oxochromen-4-yl)acetic acid SMILES: C1=CC2=C(C=C1O)OC(=O)C=C2CC(=O)O

PubChem CID 5338490
CAS 6950-82-9
Molecular Weight (g/mol) 220.18
MDL Number MFCD00037563
SMILES C1=CC2=C(C=C1O)OC(=O)C=C2CC(=O)O
Synonym 7-hydroxycoumarin-4-acetic acid,2-7-hydroxy-2-oxo-2h-chromen-4-yl acetic acid,umbelliferone-4-acetic acid,7-hydroxy-2-oxo-2h-1-benzopyran-4-acetic acid,chembl12253,2-7-hydroxy-2-oxochromen-4-yl acetic acid,7-hydroxy-4-coumarinylacetic acid,2h-1-benzopyran-4-acetic acid, 7-hydroxy-2-oxo,7-hydroxycoumarin-4-yl acetic acid,7-hydroxy-2-oxochromen-4-yl acetic acid
IUPAC Name 2-(7-hydroxy-2-oxochromen-4-yl)acetic acid
InChI Key BNHPMQBVNXMPDU-UHFFFAOYSA-N
Molecular Formula C11H8O5
50

6-Aminocoumarin hydrochloride, 97%

CAS: 63989-79-7 Molecular Formula: C9H8ClNO2 Molecular Weight (g/mol): 197.62 MDL Number: MFCD00082671 InChI Key: OSIGAIXSSYAHEG-UHFFFAOYSA-N Synonym: 6-aminocoumarin hydrochloride,6-amino-2h-chromen-2-one hydrochloride,6-aminochromen-2-one hydrochloride,2-oxochromen-6-yl azanium chloride,6-aminocoumarin hci,acmc-20am07,6-amino-chromen-2-one hydrochloride,2-oxochromen-6-yl ammonium chloride,6-amino-2h-chromen-2-one hydrochloride 1:1 PubChem CID: 356789 IUPAC Name: 6-aminochromen-2-one;hydrochloride SMILES: [Cl-].[NH3+]C1=CC=C2OC(=O)C=CC2=C1

PubChem CID 356789
CAS 63989-79-7
Molecular Weight (g/mol) 197.62
MDL Number MFCD00082671
SMILES [Cl-].[NH3+]C1=CC=C2OC(=O)C=CC2=C1
Synonym 6-aminocoumarin hydrochloride,6-amino-2h-chromen-2-one hydrochloride,6-aminochromen-2-one hydrochloride,2-oxochromen-6-yl azanium chloride,6-aminocoumarin hci,acmc-20am07,6-amino-chromen-2-one hydrochloride,2-oxochromen-6-yl ammonium chloride,6-amino-2h-chromen-2-one hydrochloride 1:1
IUPAC Name 6-aminochromen-2-one;hydrochloride
InChI Key OSIGAIXSSYAHEG-UHFFFAOYSA-N
Molecular Formula C9H8ClNO2
51

Esculin, Spectrum™ Chemical
SDP

CAS: 531-75-9

CAS 531-75-9
52

3-Aminocoumarin, 97%, Thermo Scientific™

CAS: 1635-31-0 Molecular Formula: C9H7NO2 Molecular Weight (g/mol): 161.16 InChI Key: QWZHDKGQKYEBKK-UHFFFAOYSA-N Synonym: 3-aminocoumarin,3-amino-2h-chromen-2-one,3-amino-2-benzopyrone,3-amino-2h-1-benzopyran-2-one,coumarin amine,coumarin monoamine,amino-chromen-2-one,3-azanylchromen-2-one,acmc-1bous PubChem CID: 74217 IUPAC Name: 3-aminochromen-2-one SMILES: C1=CC=C2C(=C1)C=C(C(=O)O2)N

PubChem CID 74217
CAS 1635-31-0
Molecular Weight (g/mol) 161.16
SMILES C1=CC=C2C(=C1)C=C(C(=O)O2)N
Synonym 3-aminocoumarin,3-amino-2h-chromen-2-one,3-amino-2-benzopyrone,3-amino-2h-1-benzopyran-2-one,coumarin amine,coumarin monoamine,amino-chromen-2-one,3-azanylchromen-2-one,acmc-1bous
IUPAC Name 3-aminochromen-2-one
InChI Key QWZHDKGQKYEBKK-UHFFFAOYSA-N
Molecular Formula C9H7NO2
53

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
54

4-Hydroxycoumarin, 98+%

CAS: 1076-38-6 Molecular Formula: C9H6O3 Molecular Weight (g/mol): 162.14 MDL Number: MFCD00006856 InChI Key: OWBBAPRUYLEWRR-UHFFFAOYSA-N Synonym: 4-hydroxycoumarin,4-coumarinol,4-hydroxy-2h-chromen-2-one,benzotetronic acid,coumarin, 4-hydroxy,2h-1-benzopyran-2-one, 4-hydroxy,4-hydroxy-2h-1-benzopyran-2-one,4-hydroxy-1-benzopyran-2-one,4-hydroxy-chromen-2-one,unii-x954zll2rd PubChem CID: 54682930 ChEBI: CHEBI:40070 IUPAC Name: 4-hydroxychromen-2-one SMILES: OC1=CC(=O)C2=CC=CC=C2O1

PubChem CID 54682930
CAS 1076-38-6
Molecular Weight (g/mol) 162.14
ChEBI CHEBI:40070
MDL Number MFCD00006856
SMILES OC1=CC(=O)C2=CC=CC=C2O1
Synonym 4-hydroxycoumarin,4-coumarinol,4-hydroxy-2h-chromen-2-one,benzotetronic acid,coumarin, 4-hydroxy,2h-1-benzopyran-2-one, 4-hydroxy,4-hydroxy-2h-1-benzopyran-2-one,4-hydroxy-1-benzopyran-2-one,4-hydroxy-chromen-2-one,unii-x954zll2rd
IUPAC Name 4-hydroxychromen-2-one
InChI Key OWBBAPRUYLEWRR-UHFFFAOYSA-N
Molecular Formula C9H6O3
55

4-Bromomethyl-6,7-dimethoxycoumarin, 95%

CAS: 88404-25-5 Molecular Formula: C12H11BrO4 Molecular Weight (g/mol): 299.12 MDL Number: MFCD00011570 InChI Key: JGODLBJJCNQFII-UHFFFAOYSA-N Synonym: 4-bromomethyl-6,7-dimethoxycoumarin,4-bromomethyl-6,7-dimethoxy-2h-chromen-2-one,4-bromomethyl-6,7-dimethoxychromen-2-one,2h-1-benzopyran-2-one, 4-bromomethyl-6,7-dimethoxy,4-bromomethyl-6,7-dimethoxy coumarin,4-bdmc,brdmc-4,6,7,4-bromomethyl-6,7-dimethoxy-2-oxo-2h-benzopyran PubChem CID: 128870 IUPAC Name: 4-(bromomethyl)-6,7-dimethoxychromen-2-one SMILES: COC1=C(C=C2C(=C1)C(=CC(=O)O2)CBr)OC

PubChem CID 128870
CAS 88404-25-5
Molecular Weight (g/mol) 299.12
MDL Number MFCD00011570
SMILES COC1=C(C=C2C(=C1)C(=CC(=O)O2)CBr)OC
Synonym 4-bromomethyl-6,7-dimethoxycoumarin,4-bromomethyl-6,7-dimethoxy-2h-chromen-2-one,4-bromomethyl-6,7-dimethoxychromen-2-one,2h-1-benzopyran-2-one, 4-bromomethyl-6,7-dimethoxy,4-bromomethyl-6,7-dimethoxy coumarin,4-bdmc,brdmc-4,6,7,4-bromomethyl-6,7-dimethoxy-2-oxo-2h-benzopyran
IUPAC Name 4-(bromomethyl)-6,7-dimethoxychromen-2-one
InChI Key JGODLBJJCNQFII-UHFFFAOYSA-N
Molecular Formula C12H11BrO4
56

Coumarin-3-carboxylic acid, 98%

CAS: 531-81-7 Molecular Formula: C10H6O4 Molecular Weight (g/mol): 190.154 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) 190.154
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
57

6-Nitrocoumarin, 98+%

CAS: 2725-81-7 Molecular Formula: C9H5NO4 Molecular Weight (g/mol): 191.142 MDL Number: MFCD00016973 InChI Key: RMERXEXZXIVNBF-UHFFFAOYSA-N PubChem CID: 75944 IUPAC Name: 6-nitrochromen-2-one SMILES: C1=CC2=C(C=CC(=O)O2)C=C1[N+](=O)[O-]

PubChem CID 75944
CAS 2725-81-7
Molecular Weight (g/mol) 191.142
MDL Number MFCD00016973
SMILES C1=CC2=C(C=CC(=O)O2)C=C1[N+](=O)[O-]
IUPAC Name 6-nitrochromen-2-one
InChI Key RMERXEXZXIVNBF-UHFFFAOYSA-N
Molecular Formula C9H5NO4
58

4-Methoxycoumarin, 98%

CAS: 20280-81-3 Molecular Formula: C10H8O3 Molecular Weight (g/mol): 176.171 MDL Number: MFCD00017349 InChI Key: MLCMXDYMSAZNPC-UHFFFAOYSA-N PubChem CID: 529426 IUPAC Name: 4-methoxychromen-2-one SMILES: COC1=CC(=O)OC2=CC=CC=C21

PubChem CID 529426
CAS 20280-81-3
Molecular Weight (g/mol) 176.171
MDL Number MFCD00017349
SMILES COC1=CC(=O)OC2=CC=CC=C21
IUPAC Name 4-methoxychromen-2-one
InChI Key MLCMXDYMSAZNPC-UHFFFAOYSA-N
Molecular Formula C10H8O3
59

4-Hydroxy-6-methylcoumarin, 98+%

CAS: 13252-83-0 Molecular Formula: C10H8O3 Molecular Weight (g/mol): 176.17 MDL Number: MFCD00085738 InChI Key: CSVFZDYJGBVNEX-UHFFFAOYSA-N Synonym: 4-hydroxy-6-methylcoumarin,4-hydroxy-6-methyl-2h-chromen-2-one,6-methyl-4-hydroxycoumarin,2h-1-benzopyran-2-one,4-hydroxy-6-methyl,2h-1-benzopyran-2-one, 4-hydroxy-6-methyl,2-hydroxy-6-methylchromen-4-one,2-hydroxy-6-methyl-4h-chromen-4-one,6-methyl-4-hydroxy coumarin,hydroxy-6-methylcoumarin,4 PubChem CID: 54686349 IUPAC Name: 4-hydroxy-6-methylchromen-2-one SMILES: CC1=CC=C2OC(O)=CC(=O)C2=C1

PubChem CID 54686349
CAS 13252-83-0
Molecular Weight (g/mol) 176.17
MDL Number MFCD00085738
SMILES CC1=CC=C2OC(O)=CC(=O)C2=C1
Synonym 4-hydroxy-6-methylcoumarin,4-hydroxy-6-methyl-2h-chromen-2-one,6-methyl-4-hydroxycoumarin,2h-1-benzopyran-2-one,4-hydroxy-6-methyl,2h-1-benzopyran-2-one, 4-hydroxy-6-methyl,2-hydroxy-6-methylchromen-4-one,2-hydroxy-6-methyl-4h-chromen-4-one,6-methyl-4-hydroxy coumarin,hydroxy-6-methylcoumarin,4
IUPAC Name 4-hydroxy-6-methylchromen-2-one
InChI Key CSVFZDYJGBVNEX-UHFFFAOYSA-N
Molecular Formula C10H8O3
60

iMDK, Tocris Bioscience™
GREENER_CHOICE

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