Vitas-M small molecule compound
methyl 2-{3-hydroxy-4-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-5-(4-methoxyphenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STK515986
SMILES COc1ccc(cc1)C1C(=C(C(=O)N1c1sc(c(n1)C)C(=O)OC)O)C(=O)c1oc2c(c1)cccc2OC
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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 C27H22N2O8S MW 534.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N2O8S/c1-13-24(26(33)36-4)38-27(28-13)29-20(14-8-10-16(34-2)11-9-14)19(22(31)25(29)32)21(30)18-12-15-6-5-7-17(35-3)23(15)37-18/h5-12,20,31H,1-4H3InChIKey
ITOZZPIUYQSKLY-UHFFFAOYSA-NSynonyms
CC1=C(SC(=N1)N2C(C(=C(C2=O)O)C(=O)C3=CC4=C(O3)C(=CC=C4)OC)C5=CC=C(C=C5)OC)C(=O)OC
InChI=1SC27H22N2O8Sc11324(26(33)364)3827(2813)2920(1481016(342)11914)19(22(31)25(29)32)21(30)18121565717(353)23(15)3718h5122031H14H3
methyl2(3hydroxy4((7methoxy1benzofuran2yl)carbonyl)5(4methoxyphenyl)2oxo25dihydro1Hpyrrol1yl)4methyl13thiazole5carboxylate
METHYL2(4HYDROXY3(7METHOXY1BENZOFURAN2CARBONYL)2(4METHOXYPHENYL)5OXO2HPYRROL1YL)4METHYL13THIAZOLE5CARBOXYLATE
MFCD04573918
ZINC000098046643
ZINC000098046644
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