Vitas-M small molecule compound
methyl N-{[2-(1,3-benzodioxol-5-yl)-1-oxo-1,2-dihydroisoquinolin-4-yl]carbonyl}-L-methioninate
Catalog ID
STL542807
SMILES CSCC[C@@H](C(=O)OC)NC(=O)c1cn(c2ccc3c(c2)OCO3)c(=O)c2c1cccc2
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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 C23H22N2O6S MW 454.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N2O6S/c1-29-23(28)18(9-10-32-2)24-21(26)17-12-25(22(27)16-6-4-3-5-15(16)17)14-7-8-19-20(11-14)31-13-30-19/h3-8,11-12,18H,9-10,13H2,1-2H3,(H,24,26)/t18-/m0/s1InChIKey
ZXKLAMHQDVCTTN-SFHVURJKSA-NSynonyms
1630917-85-9(S)methyl2(2(benzo(d)(13)dioxol5yl)1oxo12dihydroisoquinoline4carboxamido)4(methylthio)butanoate
1630917859
91636854
CSCC(C@@H)(C(=O)OC)NC(=O)c1cn(c2ccc3c(c2)OCO3)c(=O)c2c1cccc2
InChI=1SC23H22N2O6Sc12923(28)18(910322)2421(26)171225(22(27)16643515(16)17)14781920(1114)31133019h38111218H91013H212H3(H2426)t18m0s1
methyl(2~(S))2((2(13benzodioxol5yl)1oxoisoquinoline4carbonyl)amino)4methylsulfanylbutanoate
methylN((2(13benzodioxol5yl)1oxo12dihydroisoquinolin4yl)carbonyl)Lmethioninate
ZINC000217655153
ZINC217655153
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