Vitas-M small molecule compound
ethyl 2-[(3E)-3-[hydroxy(phenyl)methylidene]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STL148853
SMILES CCOC(=O)c1sc(nc1C)N1C(c2cccc(c2)[N+](=O)[O-])/C(=C(/c2ccccc2)\O)/C(=O)C1=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/c1-3-34-23(31)21-13(2)25-24(35-21)26-18(15-10-7-11-16(12-15)27(32)33)17(20(29)22(26)30)19(28)14-8-5-4-6-9-14/h4-12,18,28H,3H2,1-2H3/b19-17+InChIKey
MMYZBBKQCFSWLR-HTXNQAPBSA-NSynonyms
CCOC(=O)C1=C(N=C(S1)N2C(C(=C(C3=CC=CC=C3)O)C(=O)C2=O)C4=CC(=CC=C4)(N+)(=O)(O))C
CCOC(=O)c1sc(nc1C)N1C(c2cccc(c2)(N+)(=O)(O))C(=C(c2ccccc2)O)C(=O)C1=O
ethyl2((3E)3(hydroxy(phenyl)methylidene)2(3nitrophenyl)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
ETHYL2(3HYDROXY5(3NITROPHENYL)2OXO4(PHENYLCARBONYL)(3PYRROLINYL))4METHYL13THIAZOLE5CARBOXYLATE
InChI=1SC24H19N3O7Sc133423(31)2113(2)2524(3521)2618(151071116(1215)27(32)33)17(20(29)22(26)30)19(28)148546914h4121828H3H212H3b1917+
MFCD03805257
ZINC000102931352
ZINC000102931355
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