Vitas-M small molecule compound
methyl 4-{1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-hydroxy-3-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)carbonyl]-5-oxo-2,5-dihydro-1H-pyrrol-2-yl}benzoate
Catalog ID
STK905234
SMILES COC(=O)c1ccc(cc1)C1N(c2sc3c(n2)c(C)cc(c3)C)C(=O)C(=C1C(=O)c1ccc2c(c1)CC(O2)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 C31H26N2O6S MW 554.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H26N2O6S/c1-15-11-16(2)25-23(12-15)40-31(32-25)33-26(18-5-7-19(8-6-18)30(37)38-4)24(28(35)29(33)36)27(34)20-9-10-22-21(14-20)13-17(3)39-22/h5-12,14,17,26,35H,13H2,1-4H3InChIKey
ZAXUHVPMBSINAN-UHFFFAOYSA-NSynonyms
methyl4(1(46dimethyl13benzothiazol2yl)4hydroxy3((2methyl23dihydro1benzofuran5yl)carbonyl)5oxo25dihydro1Hpyrrol2yl)benzoate
methyl4(1(46dimethylbenzo(d)thiazol2yl)4hydroxy3(2methyl23dihydrobenzofuran5carbonyl)5oxo25dihydro1Hpyrrol2yl)benzoate
MFCD18065066
ZINC000053332216
ZINC000097969934
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