Vitas-M small molecule compound
ethyl (5E)-2-[(4-chlorophenyl)amino]-4-oxo-5-(3,4,5-trimethoxybenzylidene)-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK158425
SMILES CCOC(=O)C1=C(Nc2ccc(cc2)Cl)S/C(=C/c2cc(OC)c(c(c2)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)19-20(26)18(32-22(19)25-15-8-6-14(24)7-9-15)12-13-10-16(28-2)21(30-4)17(11-13)29-3/h6-12,25H,5H2,1-4H3/b18-12+InChIKey
QGQMNBDPQUEZGA-LDADJPATSA-NSynonyms
CCOC(=O)C1=C(Nc2ccc(cc2)Cl)SC(=Cc2cc(OC)c(c(c2)OC)OC)C1=O
CCOC(=O)C1=C(SC(=CC2=CC(=C(C(=C2)OC)OC)OC)C1=O)NC3=CC=C(C=C3)Cl
ETHYL(5E)2((4CHLOROPHENYL)AMINO)4OXO5(345TRIMETHOXYBENZYLIDENE)45DIHYDROTHIOPHENE3CARBOXYLATE
ethyl(5E)2(4chloroanilino)4oxo5((345trimethoxyphenyl)methylidene)thiophene3carboxylate
InChI=1SC23H22ClNO6Sc153123(27)1920(26)18(3222(19)25158614(24)7915)12131016(282)21(304)17(1113)293h61225H5H214H3b1812+
MFCD08679393
ZINC000014008876
ZINC14008876
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