Vitas-M small molecule compound
ethyl (5E)-2-[(4-chlorophenyl)amino]-4-oxo-5-(2,3,4-trimethoxybenzylidene)-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK158433
SMILES CCOC(=O)C1=C(Nc2ccc(cc2)Cl)S/C(=C/c2ccc(c(c2OC)OC)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 C23H22ClNO6S MW 475.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22ClNO6S/c1-5-31-23(27)18-19(26)17(32-22(18)25-15-9-7-14(24)8-10-15)12-13-6-11-16(28-2)21(30-4)20(13)29-3/h6-12,25H,5H2,1-4H3/b17-12+InChIKey
WQSUIYGGCRKNEB-SFQUDFHCSA-NSynonyms
CCOC(=O)C1=C(Nc2ccc(cc2)Cl)SC(=Cc2ccc(c(c2OC)OC)OC)C1=O
CCOC(=O)C1=C(SC(=CC2=C(C(=C(C=C2)OC)OC)OC)C1=O)NC3=CC=C(C=C3)Cl
ETHYL(5E)2((4CHLOROPHENYL)AMINO)4OXO5(234TRIMETHOXYBENZYLIDENE)45DIHYDROTHIOPHENE3CARBOXYLATE
ethyl(5E)2(4chloroanilino)4oxo5((234trimethoxyphenyl)methylidene)thiophene3carboxylate
InChI=1SC23H22ClNO6Sc153123(27)1819(26)17(3222(18)25159714(24)81015)121361116(282)21(304)20(13)293h61225H5H214H3b1712+
MFCD08679402
ZINC000014008882
ZINC14008882
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