Vitas-M small molecule compound
(2E)-3-(1,3-benzodioxol-5-yl)-1-[1-(2,4-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]prop-2-en-1-one
Catalog ID
STL512277
SMILES COc1ccc(c(c1)OC)C1N(CCC2(C1CCCC2)O)C(=O)/C=C/c1ccc2c(c1)OCO2
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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 C27H31NO6 MW 465.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31NO6/c1-31-19-8-9-20(23(16-19)32-2)26-21-5-3-4-12-27(21,30)13-14-28(26)25(29)11-7-18-6-10-22-24(15-18)34-17-33-22/h6-11,15-16,21,26,30H,3-5,12-14,17H2,1-2H3/b11-7+InChIKey
UWAISZMPTIQGJB-YRNVUSSQSA-NSynonyms
(~(E))3(13benzodioxol5yl)1(1(24dimethoxyphenyl)4~(a)hydroxy13456788~(a)octahydroisoquinolin2yl)prop2en1one
(2E)3(13benzodioxol5yl)1(1(24dimethoxyphenyl)4ahydroxyoctahydroisoquinolin2(1H)yl)prop2en1one
(E)3(benzo(d)(13)dioxol5yl)1((1R)1(24dimethoxyphenyl)4ahydroxyoctahydroisoquinolin2(1H)yl)prop2en1one
5924636
COc1ccc(c(c1)OC)(C@@H)1N(CCC2(C1CCCC2)O)C(=O)C=Cc1ccc2c(c1)OCO2
InChI=1SC27H31NO6c131198920(23(1619)322)26215341227(2130)131428(26)25(29)117186102224(1518)34173322h6111516212630H35121417H212H3b117+
MFCD04144262
ZINC000002156023
ZINC000037243114
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