Vitas-M small molecule compound
methyl 2-{(3E)-2-(4-chlorophenyl)-3-[hydroxy(4-methoxyphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STK621762
SMILES COc1ccc(cc1)/C(=C\1/C(c2ccc(cc2)Cl)N(C(=O)C1=O)c1sc(c(n1)C)C(=O)OC)/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 C24H19ClN2O6S MW 498.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H19ClN2O6S/c1-12-21(23(31)33-3)34-24(26-12)27-18(13-4-8-15(25)9-5-13)17(20(29)22(27)30)19(28)14-6-10-16(32-2)11-7-14/h4-11,18,28H,1-3H3/b19-17+InChIKey
QKAUAHQLBZVHCQ-HTXNQAPBSA-NSynonyms
384799-05-7384799057
CC1=C(SC(=N1)N2C(C(=C(C3=CC=C(C=C3)OC)O)C(=O)C2=O)C4=CC=C(C=C4)Cl)C(=O)OC
COc1ccc(cc1)C(=C1C(c2ccc(cc2)Cl)N(C(=O)C1=O)c1sc(c(n1)C)C(=O)OC)O
InChI=1SC24H19ClN2O6Sc11221(23(31)333)3424(2612)2718(134815(25)9513)17(20(29)22(27)30)19(28)1461016(322)11714h4111828H13H3b1917+
methyl2((3E)2(4chlorophenyl)3(hydroxy(4methoxyphenyl)methylidene)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
METHYL2(2(4CHLOROPHENYL)4HYDROXY3(4METHOXYBENZOYL)5OXO25DIHYDRO1HPYRROL1YL)4METHYL13THIAZOLE5CARBOXYLATE
METHYL2(5(4CHLOROPHENYL)3HYDROXY4((4METHOXYPHENYL)CARBONYL)2OXO(3PYRROLINYL))4METHYL13THIAZOLE5CARBOXYLATE
MFCD09797847
ZINC000102721352
ZINC000102721354
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Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.