Vitas-M small molecule compound
6,7-dimethoxy-N-[(2S)-4-(methylsulfanyl)-1-oxo-1-(pyrrolidin-1-yl)butan-2-yl]-1-phenyl-3,4-dihydroisoquinoline-2(1H)-carboxamide
Catalog ID
STL535345
SMILES CSCC[C@@H](C(=O)N1CCCC1)NC(=O)N1CCc2c(C1c1ccccc1)cc(c(c2)OC)OC
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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 C27H35N3O4S MW 497.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H35N3O4S/c1-33-23-17-20-11-15-30(25(19-9-5-4-6-10-19)21(20)18-24(23)34-2)27(32)28-22(12-16-35-3)26(31)29-13-7-8-14-29/h4-6,9-10,17-18,22,25H,7-8,11-16H2,1-3H3,(H,28,32)/t22-,25?/m0/s1InChIKey
CFBSHOWNRDIYET-XADRRFQNSA-NSynonyms
956971-58-716408449
67dimethoxy~(N)((2~(S))4methylsulfanyl1oxo1pyrrolidin1ylbutan2yl)1phenyl34dihydro1~(H)isoquinoline2carboxamide
67dimethoxyN((2S)4(methylsulfanyl)1oxo1(pyrrolidin1yl)butan2yl)1phenyl34dihydroisoquinoline2(1H)carboxamide
67dimethoxyN((S)4(methylthio)1oxo1(pyrrolidin1yl)butan2yl)1phenyl34dihydroisoquinoline2(1H)carboxamide
956971587
CSCC(C@@H)(C(=O)N1CCCC1)NC(=O)N1CCc2c(C1c1ccccc1)cc(c(c2)OC)OC
InChI=1SC27H35N3O4Sc133231720111530(25(1995461019)21(20)1824(23)342)27(32)2822(1216353)26(31)2913781429h4691017182225H781116H213H3(H2832)t2225?m0s1
ZINC000008764213
ZINC000008764214
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