Vitas-M small molecule compound
[(1R,4aS,8aS)-1-(1,3-benzodioxol-5-yl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl](phenyl)methanone
Catalog ID
STL548664
SMILES O=C(N1CC[C@@]2([C@H]([C@@H]1c1ccc3c(c1)OCO3)CCCC2)O)c1ccccc1
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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 C23H25NO4 MW 379.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25NO4/c25-22(16-6-2-1-3-7-16)24-13-12-23(26)11-5-4-8-18(23)21(24)17-9-10-19-20(14-17)28-15-27-19/h1-3,6-7,9-10,14,18,21,26H,4-5,8,11-13,15H2/t18-,21-,23-/m0/s1InChIKey
HXBUTHZDPIEXQP-HARLFGEKSA-NSynonyms
956623-54-4((1~(R)4~(a)~(S)8~(a)~(S))1(13benzodioxol5yl)4~(a)hydroxy13456788~(a)octahydroisoquinolin2yl)phenylmethanone
((1R)1(benzo(d)(13)dioxol5yl)4ahydroxyoctahydroisoquinolin2(1H)yl)(phenyl)methanone
((1R4aS8aS)1(13benzodioxol5yl)4ahydroxyoctahydroisoquinolin2(1H)yl)(phenyl)methanone
16399216
956623544
InChI=1SC23H25NO4c2522(166213716)24131223(26)1154818(23)21(24)179101920(1417)28152719h136791014182126H458111315H2t182123m0s1
MFCD06764318
O=C(N1CCC2(C((C@@H)1c1ccc3c(c1)OCO3)CCCC2)O)c1ccccc1
ZINC000004060990
ZINC4060990
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