Vitas-M small molecule compound

ethyl (5Z)-2-[(3-chlorophenyl)amino]-4-oxo-5-(3,4,5-trimethoxybenzylidene)-4,5-dihydrothiophene-3-carboxylate

Catalog ID
STK003198
SMILES CCOC(=O)C1=C(Nc2cccc(c2)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)25-15-8-6-7-14(24)12-15)11-13-9-16(28-2)21(30-4)17(10-13)29-3/h6-12,25H,5H2,1-4H3/b18-11-
InChIKey
FMCBQPHJUQEPGB-WQRHYEAKSA-N
Synonyms

CCOC(=O)C1=C(Nc2cccc(c2)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(=CC=C3)Cl
ETHYL(5Z)2((3CHLOROPHENYL)AMINO)4OXO5(345TRIMETHOXYBENZYLIDENE)45DIHYDROTHIOPHENE3CARBOXYLATE
ETHYL(5Z)2(3CHLOROANILINO)4OXO5((345TRIMETHOXYPHENYL)METHYLIDENE)THIOPHENE3CARBOXYLATE
InChI=1SC23H22ClNO6Sc153123(27)1920(26)18(3222(19)251586714(24)1215)1113916(282)21(304)17(1013)293h61225H5H214H3b1811
MFCD03033818
STK003198
ZINC000008916244
ZINC08916244
ZINC8916244

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Available files

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