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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 83 results
1

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

CAS: 4-8-2747 Molecular Formula: C12H9BrO4 Molecular Weight (g/mol): 297.10 MDL Number: MFCD00010707 InChI Key: YDJFMNSSDOXBSR-UHFFFAOYSA-N PubChem CID: 188296 IUPAC Name: [4-(bromomethyl)-2-oxochromen-7-yl] acetate SMILES: CC(=O)OC1=CC2=C(C=C1)C(=CC(=O)O2)CBr

PubChem CID 188296
CAS 4-8-2747
Molecular Weight (g/mol) 297.10
MDL Number MFCD00010707
SMILES CC(=O)OC1=CC2=C(C=C1)C(=CC(=O)O2)CBr
IUPAC Name [4-(bromomethyl)-2-oxochromen-7-yl] acetate
InChI Key YDJFMNSSDOXBSR-UHFFFAOYSA-N
Molecular Formula C12H9BrO4
2

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

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
3

4-Bromomethyl-6,7-dimethoxycoumarin 98.0+%, TCI America™

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
4

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
5

6,7-Methylenedioxy-4-methyl-3-maleimidocoumarin 98.0+%, TCI America™

CAS: 97744-90-6 Molecular Formula: C15H9NO6 Molecular Weight (g/mol): 299.238 MDL Number: MFCD00059921 InChI Key: NSFINZUKLACTRX-UHFFFAOYSA-N Synonym: 3-Maleimido-4-methyl-6,7-methylenedioxycoumarin PubChem CID: 44630383 IUPAC Name: 1-(8-methyl-6-oxo-[1,3]dioxolo[4,5-g]chromen-7-yl)pyrrole-2,5-dione SMILES: CC1=C(C(=O)OC2=CC3=C(C=C12)OCO3)N4C(=O)C=CC4=O

PubChem CID 44630383
CAS 97744-90-6
Molecular Weight (g/mol) 299.238
MDL Number MFCD00059921
SMILES CC1=C(C(=O)OC2=CC3=C(C=C12)OCO3)N4C(=O)C=CC4=O
Synonym 3-Maleimido-4-methyl-6,7-methylenedioxycoumarin
IUPAC Name 1-(8-methyl-6-oxo-[1,3]dioxolo[4,5-g]chromen-7-yl)pyrrole-2,5-dione
InChI Key NSFINZUKLACTRX-UHFFFAOYSA-N
Molecular Formula C15H9NO6
6

Scopoletin 98.0+%, TCI America™

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
7

Daphnetin 90.0+%, TCI America™

CAS: 486-35-1 Molecular Formula: C9H6O4 Molecular Weight (g/mol): 178.143 MDL Number: MFCD00016977 InChI Key: ATEFPOUAMCWAQS-UHFFFAOYSA-N Synonym: 7,8-Dihydroxycoumarin PubChem CID: 5280569 ChEBI: CHEBI:17313 IUPAC Name: 7,8-dihydroxychromen-2-one SMILES: C1=CC(=C(C2=C1C=CC(=O)O2)O)O

PubChem CID 5280569
CAS 486-35-1
Molecular Weight (g/mol) 178.143
ChEBI CHEBI:17313
MDL Number MFCD00016977
SMILES C1=CC(=C(C2=C1C=CC(=O)O2)O)O
Synonym 7,8-Dihydroxycoumarin
IUPAC Name 7,8-dihydroxychromen-2-one
InChI Key ATEFPOUAMCWAQS-UHFFFAOYSA-N
Molecular Formula C9H6O4
8

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
9

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
10

Coumarin 6H 97.0+%, TCI America™

CAS: 58336-35-9 Molecular Formula: C15H15NO2 Molecular Weight (g/mol): 241.29 MDL Number: MFCD00227485 InChI Key: MZSOXGPKUOAXNY-UHFFFAOYSA-N Synonym: 2,3,6,7-Tetrahydro-1H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-11(5H)-one, 2,3,5,6-1H,4H-Tetrahydroquinolizino[9,9a,1-gh]coumarin PubChem CID: 94022 SMILES: C1CC2=C3C(=C4C(=C2)C=CC(=O)O4)CCCN3C1

PubChem CID 94022
CAS 58336-35-9
Molecular Weight (g/mol) 241.29
MDL Number MFCD00227485
SMILES C1CC2=C3C(=C4C(=C2)C=CC(=O)O4)CCCN3C1
Synonym 2,3,6,7-Tetrahydro-1H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-11(5H)-one, 2,3,5,6-1H,4H-Tetrahydroquinolizino[9,9a,1-gh]coumarin
InChI Key MZSOXGPKUOAXNY-UHFFFAOYSA-N
Molecular Formula C15H15NO2
11

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

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
12

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
13

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
14

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

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
15

8-Methoxy-4-methylbenzo[g]coumarin 98.0+%, TCI America™

CAS: 69169-71-7 Molecular Formula: C15H12O3 Molecular Weight (g/mol): 240.26 MDL Number: MFCD00445784 InChI Key: GWFUYESISQUIHB-UHFFFAOYSA-N Synonym: 8-Methoxy-4-methyl-2H-naphtho[2,3-b]pyran-2-one PubChem CID: 12448345 IUPAC Name: 8-methoxy-4-methyl-2H-benzo[g]chromen-2-one SMILES: COC1=CC=C2C=C3C(C)=CC(=O)OC3=CC2=C1

PubChem CID 12448345
CAS 69169-71-7
Molecular Weight (g/mol) 240.26
MDL Number MFCD00445784
SMILES COC1=CC=C2C=C3C(C)=CC(=O)OC3=CC2=C1
Synonym 8-Methoxy-4-methyl-2H-naphtho[2,3-b]pyran-2-one
IUPAC Name 8-methoxy-4-methyl-2H-benzo[g]chromen-2-one
InChI Key GWFUYESISQUIHB-UHFFFAOYSA-N
Molecular Formula C15H12O3