Vitas-M small molecule compound
methyl 2-[(3E)-3-[(4-chlorophenyl)(hydroxy)methylidene]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STK566608
SMILES COC(=O)c1sc(nc1C)N1C(=O)C(=O)/C(=C(\c2ccc(cc2)Cl)/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 C23H16ClN3O7S MW 513.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H16ClN3O7S/c1-11-20(22(31)34-2)35-23(25-11)26-17(12-5-9-15(10-6-12)27(32)33)16(19(29)21(26)30)18(28)13-3-7-14(24)8-4-13/h3-10,17,28H,1-2H3/b18-16+InChIKey
MAGPJCHDYORYBX-FBMGVBCBSA-NSynonyms
CC1=C(SC(=N1)N2C(C(=C(C3=CC=C(C=C3)Cl)O)C(=O)C2=O)C4=CC=C(C=C4)(N+)(=O)(O))C(=O)OC
COC(=O)c1sc(nc1C)N1C(=O)C(=O)C(=C(c2ccc(cc2)Cl)O)C1c1ccc(cc1)(N+)(=O)(O)
InChI=1SC23H16ClN3O7Sc11120(22(31)342)3523(2511)2617(125915(10612)27(32)33)16(19(29)21(26)30)18(28)133714(24)8413h3101728H12H3b1816+
methyl2((3E)3((4chlorophenyl)(hydroxy)methylidene)2(4nitrophenyl)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
METHYL2((3E)3((4CHLOROPHENYL)HYDROXYMETHYLIDENE)2(4NITROPHENYL)45DIOXOPYRROLIDIN1YL)4METHYL13THIAZOLE5CARBOXYLATE
MFCD03801102
ZINC000102542829
ZINC000102542835
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