Vitas-M small molecule compound

[1-(1,3-benzodioxol-5-yl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetonitrile

Catalog ID
STL343100
SMILES N#CCN1CCC2(C(C1c1ccc3c(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 C18H22N2O3 MW 314.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N2O3/c19-8-10-20-9-7-18(21)6-2-1-3-14(18)17(20)13-4-5-15-16(11-13)23-12-22-15/h4-5,11,14,17,21H,1-3,6-7,9-10,12H2
InChIKey
MRISYLBZBSYKTO-UHFFFAOYSA-N
Synonyms
1005103-96-7
(1(13benzodioxol5yl)4ahydroxyoctahydroisoquinolin2(1H)yl)acetonitrile
(1BENZO(13)DIOXOL5YL4AHYDROXYOCTAHYDROISOQUINOLIN2YL)ACETONITRILE
1005103967
2(1(13benzodioxol5yl)4ahydroxy13456788aoctahydroisoquinolin2yl)acetonitrile
2(1(benzo(d)(13)dioxol5yl)4ahydroxyoctahydroisoquinolin2(1H)yl)acetonitrile
C1CCC2(CCN(C(C2C1)C3=CC4=C(C=C3)OCO4)CC#N)O
InChI=1SC18H22N2O3c19810209718(21)621314(18)17(20)13451516(1113)23122215h4511141721H136791012H2
MFCD04162093
ZINC000002407091
ZINC000230007611

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Available files

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