Vitas-M small molecule compound
2-[(1R,4aS,8aS)-1-(1,3-benzodioxol-5-yl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-N-(3,5-dimethylphenyl)acetamide
Catalog ID
STL546530
SMILES O=C(Nc1cc(C)cc(c1)C)CN1CC[C@@]2([C@H]([C@@H]1c1ccc3c(c1)OCO3)CCCC2)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 C26H32N2O4 MW 436.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H32N2O4/c1-17-11-18(2)13-20(12-17)27-24(29)15-28-10-9-26(30)8-4-3-5-21(26)25(28)19-6-7-22-23(14-19)32-16-31-22/h6-7,11-14,21,25,30H,3-5,8-10,15-16H2,1-2H3,(H,27,29)/t21-,25-,26-/m0/s1InChIKey
OIPMLQRSGHHVDU-MZBJOSPHSA-NSynonyms
956944-98-216400906
2((1~(R)4~(a)~(S)8~(a)~(S))1(13benzodioxol5yl)4~(a)hydroxy13456788~(a)octahydroisoquinolin2yl)~(N)(35dimethylphenyl)acetamide
2((1R)1(benzo(d)(13)dioxol5yl)4ahydroxyoctahydroisoquinolin2(1H)yl)N(35dimethylphenyl)acetamide
2((1R4aS8aS)1(13benzodioxol5yl)4ahydroxyoctahydroisoquinolin2(1H)yl)N(35dimethylphenyl)acetamide
956944982
InChI=1SC26H32N2O4c1171118(2)1320(1217)2724(29)152810926(30)843521(26)25(28)19672223(1419)32163122h671114212530H358101516H212H3(H2729)t212526m0s1
MFCD05672215
O=C(Nc1cc(C)cc(c1)C)CN1CCC2(C((C@@H)1c1ccc3c(c1)OCO3)CCCC2)O
ZINC000012866701
ZINC12866701
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