Vitas-M small molecule compound
methyl 2-{(3E)-3-[(4-chlorophenyl)(hydroxy)methylidene]-4,5-dioxo-2-phenylpyrrolidin-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STL047792
SMILES COC(=O)c1sc(nc1C)N1C(=O)C(=O)/C(=C(\c2ccc(cc2)Cl)/O)/C1c1ccccc1
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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 C23H17ClN2O5S MW 468.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17ClN2O5S/c1-12-20(22(30)31-2)32-23(25-12)26-17(13-6-4-3-5-7-13)16(19(28)21(26)29)18(27)14-8-10-15(24)11-9-14/h3-11,17,27H,1-2H3/b18-16+InChIKey
OYEGKCKZBFIWQP-FBMGVBCBSA-NSynonyms
494200-93-0494200930
CC1=C(SC(=N1)N2C(C(=C(C3=CC=C(C=C3)Cl)O)C(=O)C2=O)C4=CC=CC=C4)C(=O)OC
COC(=O)c1sc(nc1C)N1C(=O)C(=O)C(=C(c2ccc(cc2)Cl)O)C1c1ccccc1
InChI=1SC23H17ClN2O5Sc11220(22(30)312)3223(2512)2617(136435713)16(19(28)21(26)29)18(27)1481015(24)11914h3111727H12H3b1816+
methyl2((3E)3((4chlorophenyl)(hydroxy)methylidene)45dioxo2phenylpyrrolidin1yl)4methyl13thiazole5carboxylate
METHYL2((4E)4((4CHLOROPHENYL)HYDROXYMETHYLIDENE)23DIOXO5PHENYLPYRROLIDIN1YL)4METHYL13THIAZOLE5CARBOXYLATE
METHYL2(4((4CHLOROPHENYL)CARBONYL)3HYDROXY2OXO5PHENYL(3PYRROLINYL))4METHYL13THIAZOLE5CARBOXYLATE
MFCD03808343
ZINC000102883959
ZINC000102883960
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