Vitas-M small molecule compound
ethyl 2-{(3E)-2-(2-fluorophenyl)-3-[hydroxy(4-methoxyphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STK622846
SMILES CCOC(=O)c1sc(nc1C)N1C(=O)C(=O)/C(=C(\c2ccc(cc2)OC)/O)/C1c1ccccc1F
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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 C25H21FN2O6S MW 496.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21FN2O6S/c1-4-34-24(32)22-13(2)27-25(35-22)28-19(16-7-5-6-8-17(16)26)18(21(30)23(28)31)20(29)14-9-11-15(33-3)12-10-14/h5-12,19,29H,4H2,1-3H3/b20-18+InChIKey
PSDGCVDFHJKLAE-CZIZESTLSA-NSynonyms
384374-29-2384374292
CCOC(=O)C1=C(N=C(S1)N2C(C(=C(C3=CC=C(C=C3)OC)O)C(=O)C2=O)C4=CC=CC=C4F)C
CCOC(=O)c1sc(nc1C)N1C(=O)C(=O)C(=C(c2ccc(cc2)OC)O)C1c1ccccc1F
ethyl2((3E)2(2fluorophenyl)3(hydroxy(4methoxyphenyl)methylidene)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
ETHYL2(5(2FLUOROPHENYL)3HYDROXY4((4METHOXYPHENYL)CARBONYL)2OXO(3PYRROLINYL))4METHYL13THIAZOLE5CARBOXYLATE
InChI=1SC25H21FN2O6Sc143424(32)2213(2)2725(3522)2819(16756817(16)26)18(21(30)23(28)31)20(29)1491115(333)121014h5121929H4H213H3b2018+
MFCD09796021
ZINC000102722899
ZINC000102722904
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