Vitas-M small molecule compound
methyl 2-[(3E)-3-[(4-chlorophenyl)(hydroxy)methylidene]-2-(4-methoxyphenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STL149134
SMILES COc1ccc(cc1)C1/C(=C(/c2ccc(cc2)Cl)\O)/C(=O)C(=O)N1c1sc(c(n1)C)C(=O)OC
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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(13-6-10-16(32-2)11-7-13)17(20(29)22(27)30)19(28)14-4-8-15(25)9-5-14/h4-11,18,28H,1-3H3/b19-17+InChIKey
LKKNZHSHQOCTRJ-HTXNQAPBSA-NSynonyms
CC1=C(SC(=N1)N2C(C(=C(C3=CC=C(C=C3)Cl)O)C(=O)C2=O)C4=CC=C(C=C4)OC)C(=O)OC
COc1ccc(cc1)C1C(=C(c2ccc(cc2)Cl)O)C(=O)C(=O)N1c1sc(c(n1)C)C(=O)OC
InChI=1SC24H19ClN2O6Sc11221(23(31)333)3424(2612)2718(1361016(322)11713)17(20(29)22(27)30)19(28)144815(25)9514h4111828H13H3b1917+
methyl2((3E)3((4chlorophenyl)(hydroxy)methylidene)2(4methoxyphenyl)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
METHYL2((3E)3((4CHLOROPHENYL)HYDROXYMETHYLIDENE)2(4METHOXYPHENYL)45DIOXOPYRROLIDIN1YL)4METHYL13THIAZOLE5CARBOXYLATE
MFCD03802511
ZINC000102928401
ZINC000102928402
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