Vitas-M small molecule compound
ethyl 2-[(3E)-3-[hydroxy(4-methylphenyl)methylidene]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STL148936
SMILES CCOC(=O)c1sc(nc1C)N1C(c2ccc(cc2)[N+](=O)[O-])/C(=C(/c2ccc(cc2)C)\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 C25H21N3O7S MW 507.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21N3O7S/c1-4-35-24(32)22-14(3)26-25(36-22)27-19(15-9-11-17(12-10-15)28(33)34)18(21(30)23(27)31)20(29)16-7-5-13(2)6-8-16/h5-12,19,29H,4H2,1-3H3/b20-18+InChIKey
FALQKKGZOQABED-CZIZESTLSA-NSynonyms
384349-06-8384349068
CCOC(=O)C1=C(N=C(S1)N2C(C(=C(C3=CC=C(C=C3)C)O)C(=O)C2=O)C4=CC=C(C=C4)(N+)(=O)(O))C
CCOC(=O)c1sc(nc1C)N1C(c2ccc(cc2)(N+)(=O)(O))C(=C(c2ccc(cc2)C)O)C(=O)C1=O
ethyl2((3E)3(hydroxy(4methylphenyl)methylidene)2(4nitrophenyl)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
InChI=1SC25H21N3O7Sc143524(32)2214(3)2625(3622)2719(1591117(121015)28(33)34)18(21(30)23(27)31)20(29)167513(2)6816h5121929H4H213H3b2018+
MFCD03813588
ZINC000102932352
ZINC000102932355
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