Vitas-M small molecule compound
(2E)-3-(1,3-benzodioxol-5-yl)-1-[(1R,4aS,8aS)-1-(2,5-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]prop-2-en-1-one
Catalog ID
STL565661
SMILES COc1ccc(c(c1)[C@@H]1N(CC[C@@]2([C@H]1CCCC2)O)C(=O)/C=C/c1ccc2c(c1)OCO2)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 C27H31NO6 MW 465.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31NO6/c1-31-19-8-10-22(32-2)20(16-19)26-21-5-3-4-12-27(21,30)13-14-28(26)25(29)11-7-18-6-9-23-24(15-18)34-17-33-23/h6-11,15-16,21,26,30H,3-5,12-14,17H2,1-2H3/b11-7+/t21-,26-,27-/m0/s1InChIKey
KEKPWUFWEMJLKP-RJHBRUQCSA-NSynonyms
956925-09-0(2E)3(13benzodioxol5yl)1((1R4aS8aS)1(25dimethoxyphenyl)4ahydroxyoctahydroisoquinolin2(1H)yl)prop2en1one
(E)1((1R4aS8aS)1(25dimethoxyphenyl)4ahydroxy13456788aoctahydroisoquinolin2yl)3(13benzodioxol5yl)prop2en1one
(E)3(benzo(d)(13)dioxol5yl)1((1R)1(25dimethoxyphenyl)4ahydroxyoctahydroisoquinolin2(1H)yl)prop2en1one
16402115
956925090
COc1ccc(c(c1)(C@@H)1N(CCC2(C1CCCC2)O)C(=O)C=Cc1ccc2c(c1)OCO2)OC
InChI=1SC27H31NO6c1311981022(322)20(1619)26215341227(2130)131428(26)25(29)11718692324(1518)34173323h6111516212630H35121417H212H3b117+t212627m0s1
MFCD32651711
ZINC000012874184
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