Vitas-M small molecule compound
methyl 2-{3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-4-[(4-methylphenyl)sulfonyl]-2-oxo-2,5-dihydro-1H-pyrrol-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STK516293
SMILES COC(=O)c1sc(nc1C)N1C(=O)C(=C(C1c1ccc(c(c1)OC)O)S(=O)(=O)c1ccc(cc1)C)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 C24H22N2O8S2 MW 530.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N2O8S2/c1-12-5-8-15(9-6-12)36(31,32)21-18(14-7-10-16(27)17(11-14)33-3)26(22(29)19(21)28)24-25-13(2)20(35-24)23(30)34-4/h5-11,18,27-28H,1-4H3InChIKey
NTSWSFRDRUZWRM-UHFFFAOYSA-NSynonyms
CC1=CC=C(C=C1)S(=O)(=O)C2=C(C(=O)N(C2C3=CC(=C(C=C3)O)OC)C4=NC(=C(S4)C(=O)OC)C)O
InChI=1SC24H22N2O8S2c1125815(9612)36(3132)2118(1471016(27)17(1114)333)26(22(29)19(21)28)242513(2)20(3524)23(30)344h511182728H14H3
methyl2(3hydroxy5(4hydroxy3methoxyphenyl)4((4methylphenyl)sulfonyl)2oxo25dihydro1Hpyrrol1yl)4methyl13thiazole5carboxylate
methyl2(4hydroxy2(4hydroxy3methoxyphenyl)3(4methylphenyl)sulfonyl5oxo2Hpyrrol1yl)4methyl13thiazole5carboxylate
MFCD06645598
ZINC000098047937
ZINC000098047938
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