Vitas-M small molecule compound
(1R,4aS,8aS)-1-(1,3-benzodioxol-5-yl)-2-[(2E)-3-phenylprop-2-en-1-yl]octahydroisoquinolin-4a(2H)-ol
Catalog ID
STL547565
SMILES O[C@@]12CCCC[C@H]2[C@@H](N(CC1)C/C=C/c1ccccc1)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 C25H29NO3 MW 391.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29NO3/c27-25-13-5-4-10-21(25)24(20-11-12-22-23(17-20)29-18-28-22)26(16-14-25)15-6-9-19-7-2-1-3-8-19/h1-3,6-9,11-12,17,21,24,27H,4-5,10,13-16,18H2/b9-6+/t21-,24-,25-/m0/s1InChIKey
RDZKUDPALZMKLW-JSNZRONSSA-NSynonyms
956273-15-7(1~(R)4~(a)~(S)8~(a)~(S))1(13benzodioxol5yl)2((~(E))3phenylprop2enyl)13456788~(a)octahydroisoquinolin4~(a)ol
(1R)1(benzo(d)(13)dioxol5yl)2cinnamyldecahydroisoquinolin4aol
(1R4aS8aS)1(13benzodioxol5yl)2((2E)3phenylprop2en1yl)octahydroisoquinolin4a(2H)ol
11875420
956273157
InChI=1SC25H29NO3c272513541021(25)24(2011122223(1720)29182822)26(161425)1569197213819h1369111217212427H4510131618H2b96+t212425m0s1
MFCD06764534
OC12CCCCC2(C@@H)(N(CC1)CC=Cc1ccccc1)c1ccc2c(c1)OCO2
ZINC000004064379
ZINC4064379
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