Vitas-M small molecule compound
ethyl (5Z)-5-(3-methoxybenzylidene)-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK158391
SMILES CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2cccc(c2)OC)/C1=O
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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 C21H19NO4S MW 381.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19NO4S/c1-3-26-21(24)18-19(23)17(13-14-8-7-11-16(12-14)25-2)27-20(18)22-15-9-5-4-6-10-15/h4-13,22H,3H2,1-2H3/b17-13-InChIKey
HBRDLVIWHXCECZ-LGMDPLHJSA-NSynonyms
CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2cccc(c2)OC)C1=O
CCOC(=O)C1=C(SC(=CC2=CC(=CC=C2)OC)C1=O)NC3=CC=CC=C3
ETHYL(5Z)2ANILINO5((3METHOXYPHENYL)METHYLIDENE)4OXOTHIOPHENE3CARBOXYLATE
ETHYL(5Z)5(3METHOXYBENZYLIDENE)4OXO2(PHENYLAMINO)45DIHYDROTHIOPHENE3CARBOXYLATE
InChI=1SC21H19NO4Sc132621(24)1819(23)17(1314871116(1214)252)2720(18)221595461015h41322H3H212H3b1713
MFCD02214858
ZINC000004688347
ZINC04688347
ZINC4688347
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