Vitas-M small molecule compound
ethyl (5Z)-5-(2-chlorobenzylidene)-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK033313
SMILES CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2ccccc2Cl)/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 C20H16ClNO3S MW 385.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16ClNO3S/c1-2-25-20(24)17-18(23)16(12-13-8-6-7-11-15(13)21)26-19(17)22-14-9-4-3-5-10-14/h3-12,22H,2H2,1H3/b16-12-InChIKey
GVVMBCSZRZJNAO-VBKFSLOCSA-NSynonyms
CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccccc2Cl)C1=O
CCOC(=O)C1=C(SC(=CC2=CC=CC=C2Cl)C1=O)NC3=CC=CC=C3
ETHYL(5Z)2ANILINO5((2CHLOROPHENYL)METHYLIDENE)4OXOTHIOPHENE3CARBOXYLATE
ETHYL(5Z)5(2CHLOROBENZYLIDENE)4OXO2(PHENYLAMINO)45DIHYDROTHIOPHENE3CARBOXYLATE
InChI=1SC20H16ClNO3Sc122520(24)1718(23)16(12138671115(13)21)2619(17)221494351014h31222H2H21H3b1612
MFCD02221026
STK033313
ZINC000004662664
ZINC04662664
ZINC4662664
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