Vitas-M small molecule compound
ethyl 2-{(3E)-2-(4-fluorophenyl)-3-[hydroxy(4-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STL147815
SMILES CCOC(=O)c1sc(nc1C)N1C(c2ccc(cc2)F)/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 C25H21FN2O5S MW 480.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21FN2O5S/c1-4-33-24(32)22-14(3)27-25(34-22)28-19(15-9-11-17(26)12-10-15)18(21(30)23(28)31)20(29)16-7-5-13(2)6-8-16/h5-12,19,29H,4H2,1-3H3/b20-18+InChIKey
PFZQWOKLEXDGHQ-CZIZESTLSA-NSynonyms
371928-95-9371928959
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)F)C
CCOC(=O)c1sc(nc1C)N1C(c2ccc(cc2)F)C(=C(c2ccc(cc2)C)O)C(=O)C1=O
ethyl2((3E)2(4fluorophenyl)3(hydroxy(4methylphenyl)methylidene)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
InChI=1SC25H21FN2O5Sc143324(32)2214(3)2725(3422)2819(1591117(26)121015)18(21(30)23(28)31)20(29)167513(2)6816h5121929H4H213H3b2018+
MFCD03808152
ZINC000102925026
ZINC000102925027
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