Vitas-M small molecule compound
methyl 2-[(3E)-3-[hydroxy(4-methylphenyl)methylidene]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STK846201
SMILES COC(=O)c1sc(nc1C)N1C(=O)C(=O)/C(=C(\c2ccc(cc2)C)/O)/C1c1ccc(cc1)[N+](=O)[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 C24H19N3O7S MW 493.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H19N3O7S/c1-12-4-6-15(7-5-12)19(28)17-18(14-8-10-16(11-9-14)27(32)33)26(22(30)20(17)29)24-25-13(2)21(35-24)23(31)34-3/h4-11,18,28H,1-3H3/b19-17+InChIKey
KSHIMKUYJVQXSS-HTXNQAPBSA-NSynonyms
384369-76-0384369760
CC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)C3=NC(=C(S3)C(=O)OC)C)C4=CC=C(C=C4)(N+)(=O)(O))O
COC(=O)c1sc(nc1C)N1C(=O)C(=O)C(=C(c2ccc(cc2)C)O)C1c1ccc(cc1)(N+)(=O)(O)
InChI=1SC24H19N3O7Sc1124615(7512)19(28)1718(1481016(11914)27(32)33)26(22(30)20(17)29)242513(2)21(3524)23(31)343h4111828H13H3b1917+
methyl2((3E)3(hydroxy(4methylphenyl)methylidene)2(4nitrophenyl)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
METHYL2(3HYDROXY4((4METHYLPHENYL)CARBONYL)5(4NITROPHENYL)2OXO(3PYRROLINYL))4METHYL13THIAZOLE5CARBOXYLATE
MFCD03804812
ZINC000102798807
ZINC000102798811
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