Vitas-M small molecule compound
ethyl 2-{(3E)-2-(furan-2-yl)-3-[hydroxy(4-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STK623983
SMILES CCOC(=O)c1sc(nc1C)N1C(c2ccco2)/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 C23H20N2O6S MW 452.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N2O6S/c1-4-30-22(29)20-13(3)24-23(32-20)25-17(15-6-5-11-31-15)16(19(27)21(25)28)18(26)14-9-7-12(2)8-10-14/h5-11,17,26H,4H2,1-3H3/b18-16+InChIKey
KWMNEXDYEZHBFI-FBMGVBCBSA-NSynonyms
CCOC(=O)C1=C(N=C(S1)N2C(C(=C(C3=CC=C(C=C3)C)O)C(=O)C2=O)C4=CC=CO4)C
CCOC(=O)c1sc(nc1C)N1C(c2ccco2)C(=C(c2ccc(cc2)C)O)C(=O)C1=O
ethyl2((3E)2(furan2yl)3(hydroxy(4methylphenyl)methylidene)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
ETHYL2(5(2FURYL)3HYDROXY4((4METHYLPHENYL)CARBONYL)2OXO(3PYRROLINYL))4METHYL13THIAZOLE5CARBOXYLATE
InChI=1SC23H20N2O6Sc143022(29)2013(3)2423(3220)2517(1565113115)16(19(27)21(25)28)18(26)149712(2)81014h5111726H4H213H3b1816+
MFCD09791154
ZINC000102725251
ZINC000102725255
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