Vitas-M small molecule compound
(1R,4aS,8aS)-1-(3,4,5-trimethoxyphenyl)octahydroisoquinolin-4a(2H)-ol
Catalog ID
STL546182
SMILES COc1cc(cc(c1OC)OC)[C@@H]1NCC[C@@]2([C@H]1CCCC2)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 C18H27NO4 MW 321.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H27NO4/c1-21-14-10-12(11-15(22-2)17(14)23-3)16-13-6-4-5-7-18(13,20)8-9-19-16/h10-11,13,16,19-20H,4-9H2,1-3H3/t13-,16-,18-/m0/s1InChIKey
HAXNJCFMCFBBSO-OWQGQXMQSA-NSynonyms
(1~(R)4~(a)~(S)8~(a)~(S))1(345trimethoxyphenyl)23456788~(a)octahydro1~(H)isoquinolin4~(a)ol
(1R)1(345trimethoxyphenyl)decahydroisoquinolin4aolhydrochloride
(1R4aS8aS)1(345trimethoxyphenyl)octahydroisoquinolin4a(2H)ol
7076649
COc1cc(cc(c1OC)OC)(C@@H)1NCCC2(C1CCCC2)OCl
InChI=1SC18H27NO4c121141012(1115(222)17(14)233)1613645718(1320)891916h101113161920H49H213H3t131618m0s1
MFCD06763716
ZINC000004026643
ZINC4026643
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