Vitas-M small molecule compound

ethyl 1,4-dihydroxyisoquinoline-3-carboxylate

Catalog ID
STK700868
SMILES CCOC(=O)c1nc(O)c2c(c1O)cccc2

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C12H11NO4 MW 233.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H11NO4/c1-2-17-12(16)9-10(14)7-5-3-4-6-8(7)11(15)13-9/h3-6,14H,2H2,1H3,(H,13,15)
InChIKey
BOBTXTQSXBWIOR-UHFFFAOYSA-N
Synonyms
14174-93-7
(3E)3(ETHOXY(HYDROXY)METHYLIDENE)ISOQUINOLINE14DIONE
(3Z)3(ETHOXY(HYDROXY)METHYLENE)ISOQUINOLINE14QUINONE
(3Z)3(ETHOXY(HYDROXY)METHYLIDENE)2HISOQUINOLINE14DIONE
(3Z)3(ETHOXY(HYDROXY)METHYLIDENE)ISOQUINOLINE14DIONE
(3Z)3(ETHOXY(OXIDANYL)METHYLIDENE)ISOQUINOLINE14DIONE
(3Z)3(ETHOXYHYDROXYMETHYLIDENE)ISOQUINOLINE14DIONE
14174937
3(ETHOXY(HYDROXY)METHYLIDENE)ISOQUINOLINE14DIONE
3ISOQUINOLINECARBOXYLICACID12DIHYDRO4HYDROXY1OXOETHYLESTER
4HYDROXY1OXO12DIHYDROISOQUINOLINE3CARBOXYLICACIDETHYLESTER
CCOC(=O)C1=C(C2=CC=CC=C2C(=O)N1)O
ethyl14dihydroxyisoquinoline3carboxylate
ETHYL4HYDROXY1OXO12DIHYDRO3ISOQUINOLINECARBOXYLATE
ETHYL4HYDROXY1OXO12DIHYDROISOQUINOLINE3CARBOXYLATE
ethyl4hydroxy1oxo2Hisoquinoline3carboxylate
ETHYL4HYDROXY1OXO2HYDROISOQUINOLINE3CARBOXYLATE
InChI=1SC12H11NO4c121712(16)910(14)753468(7)11(15)139h3614H2H21H3(H1315)
MFCD00817816
ZINC000013130180
ZINC13130180

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.