Vitas-M small molecule compound
ethyl 2-[3-(1-benzofuran-2-ylcarbonyl)-2-(3,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STK818042
SMILES CCOC(=O)c1sc(nc1C)N1C(c2ccc(c(c2)OC)OC)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 C28H24N2O8S MW 548.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24N2O8S/c1-5-37-27(34)25-14(2)29-28(39-25)30-22(16-10-11-18(35-3)19(13-16)36-4)21(24(32)26(30)33)23(31)20-12-15-8-6-7-9-17(15)38-20/h6-13,22,32H,5H2,1-4H3InChIKey
YZYKCKKKJRAPFR-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(N=C(S1)N2C(C(=C(C2=O)O)C(=O)C3=CC4=CC=CC=C4O3)C5=CC(=C(C=C5)OC)OC)C
ETHYL2(3(1BENZOFURAN2CARBONYL)2(34DIMETHOXYPHENYL)4HYDROXY5OXO2HPYRROL1YL)4METHYL13THIAZOLE5CARBOXYLATE
ethyl2(3(1benzofuran2ylcarbonyl)2(34dimethoxyphenyl)4hydroxy5oxo25dihydro1Hpyrrol1yl)4methyl13thiazole5carboxylate
InChI=1SC28H24N2O8Sc153727(34)2514(2)2928(3925)3022(16101118(353)19(1316)364)21(24(32)26(30)33)23(31)201215867917(15)3820h6132232H5H214H3
MFCD03509177
ZINC000053253937
ZINC000053253940
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