Vitas-M small molecule compound

[(1R,4aS,8aS)-1-(2,4-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetonitrile

Catalog ID
STL547353
SMILES N#CCN1CC[C@@]2([C@H]([C@@H]1c1ccc(cc1OC)OC)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 C19H26N2O3 MW 330.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H26N2O3/c1-23-14-6-7-15(17(13-14)24-2)18-16-5-3-4-8-19(16,22)9-11-21(18)12-10-20/h6-7,13,16,18,22H,3-5,8-9,11-12H2,1-2H3/t16-,18-,19-/m0/s1
InChIKey
JNNJEVXFLCNFBA-WDSOQIARSA-N
Synonyms
956807-48-0
((1R4aS8aS)1(24dimethoxyphenyl)4ahydroxyoctahydroisoquinolin2(1H)yl)acetonitrile
2((1~(R)4~(a)~(S)8~(a)~(S))1(24dimethoxyphenyl)4~(a)hydroxy13456788~(a)octahydroisoquinolin2yl)acetonitrile
2((1R)1(24dimethoxyphenyl)4ahydroxyoctahydroisoquinolin2(1H)yl)acetonitrile
7086892
956807480
InChI=1SC19H26N2O3c123146715(17(1314)242)1816534819(1622)91121(18)121020h6713161822H35891112H212H3t161819m0s1
MFCD06764390
N#CCN1CCC2(C((C@@H)1c1ccc(cc1OC)OC)CCCC2)O
ZINC000061997559
ZINC61997559

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Available files

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