Vitas-M small molecule compound
(1R,4aS,8aS)-1-(1,3-benzodioxol-5-yl)-2-(4-methylbenzyl)octahydroisoquinolin-4a(2H)-ol
Catalog ID
STL545869
SMILES Cc1ccc(cc1)CN1CC[C@@]2([C@H]([C@@H]1c1ccc3c(c1)OCO3)CCCC2)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 C24H29NO3 MW 379.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H29NO3/c1-17-5-7-18(8-6-17)15-25-13-12-24(26)11-3-2-4-20(24)23(25)19-9-10-21-22(14-19)28-16-27-21/h5-10,14,20,23,26H,2-4,11-13,15-16H2,1H3/t20-,23-,24-/m0/s1InChIKey
QKQZEKKTBGAMSI-OYDLWJJNSA-NSynonyms
956253-18-2(1~(R)4~(a)~(S)8~(a)~(S))1(13benzodioxol5yl)2((4methylphenyl)methyl)13456788~(a)octahydroisoquinolin4~(a)ol
(1R)1(benzo(d)(13)dioxol5yl)2(4methylbenzyl)decahydroisoquinolin4aol
(1R4aS8aS)1(13benzodioxol5yl)2(4methylbenzyl)octahydroisoquinolin4a(2H)ol
11875443
956253182
Cc1ccc(cc1)CN1CCC2(C((C@@H)1c1ccc3c(c1)OCO3)CCCC2)O
InChI=1SC24H29NO3c1175718(8617)1525131224(26)1132420(24)23(25)199102122(1419)28162721h51014202326H2411131516H21H3t202324m0s1
MFCD06764558
ZINC000004064652
ZINC4064652
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