Vitas-M small molecule compound
N-{2-[(1R,4aS,8aS)-1-(2,5-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-2-oxoethyl}benzamide
Catalog ID
STL531665
SMILES COc1ccc(c(c1)[C@@H]1N(CC[C@@]2([C@H]1CCCC2)O)C(=O)CNC(=O)c1ccccc1)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 C26H32N2O5 MW 452.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H32N2O5/c1-32-19-11-12-22(33-2)20(16-19)24-21-10-6-7-13-26(21,31)14-15-28(24)23(29)17-27-25(30)18-8-4-3-5-9-18/h3-5,8-9,11-12,16,21,24,31H,6-7,10,13-15,17H2,1-2H3,(H,27,30)/t21-,24-,26-/m0/s1InChIKey
YVCZOGRZHLJHNX-CVJWPJSTSA-NSynonyms
956973-81-2~(N)(2((1~(R)4~(a)~(S)8~(a)~(S))1(25dimethoxyphenyl)4~(a)hydroxy13456788~(a)octahydroisoquinolin2yl)2oxoethyl)benzamide
16402982
956973812
COc1ccc(c(c1)(C@@H)1N(CCC2(C1CCCC2)O)C(=O)CNC(=O)c1ccccc1)OC
InChI=1SC26H32N2O5c13219111222(332)20(1619)242110671326(2131)141528(24)23(29)172725(30)188435918h3589111216212431H6710131517H212H3(H2730)t212426m0s1
MFCD06494826
N(2((1R)1(25dimethoxyphenyl)4ahydroxyoctahydroisoquinolin2(1H)yl)2oxoethyl)benzamide
N(2((1R4aS8aS)1(25dimethoxyphenyl)4ahydroxyoctahydroisoquinolin2(1H)yl)2oxoethyl)benzamide
ZINC000008789246
ZINC8789246
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