Vitas-M small molecule compound
methyl 2-[3-(1-benzofuran-2-ylcarbonyl)-2-(4-chlorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STK516280
SMILES COC(=O)c1sc(nc1C)N1C(c2ccc(cc2)Cl)C(=C(C1=O)O)C(=O)c1cc2c(o1)cccc2
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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 C25H17ClN2O6S MW 508.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H17ClN2O6S/c1-12-22(24(32)33-2)35-25(27-12)28-19(13-7-9-15(26)10-8-13)18(21(30)23(28)31)20(29)17-11-14-5-3-4-6-16(14)34-17/h3-11,19,30H,1-2H3InChIKey
XXXJXWKBAOZVSS-UHFFFAOYSA-NSynonyms
CC1=C(SC(=N1)N2C(C(=C(C2=O)O)C(=O)C3=CC4=CC=CC=C4O3)C5=CC=C(C=C5)Cl)C(=O)OC
InChI=1SC25H17ClN2O6Sc11222(24(32)332)3525(2712)2819(137915(26)10813)18(21(30)23(28)31)20(29)171114534616(14)3417h3111930H12H3
METHYL2(3(1BENZOFURAN2CARBONYL)2(4CHLOROPHENYL)4HYDROXY5OXO2HPYRROL1YL)4METHYL13THIAZOLE5CARBOXYLATE
methyl2(3(1benzofuran2ylcarbonyl)2(4chlorophenyl)4hydroxy5oxo25dihydro1Hpyrrol1yl)4methyl13thiazole5carboxylate
MFCD03508966
ZINC000016742282
ZINC000016742283
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