Vitas-M small molecule compound
[4a-hydroxy-1-(3,4,5-trimethoxyphenyl)octahydroisoquinolin-2(1H)-yl]acetonitrile
Catalog ID
STK524150
SMILES N#CCN1CCC2(C(C1c1cc(OC)c(c(c1)OC)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 C20H28N2O4 MW 360.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H28N2O4/c1-24-16-12-14(13-17(25-2)19(16)26-3)18-15-6-4-5-7-20(15,23)8-10-22(18)11-9-21/h12-13,15,18,23H,4-8,10-11H2,1-3H3InChIKey
DTQHIYZOPBPETJ-UHFFFAOYSA-NSynonyms
(4ahydroxy1(345trimethoxyphenyl)octahydroisoquinolin2(1H)yl)acetonitrile
2((1R)4ahydroxy1(345trimethoxyphenyl)octahydroisoquinolin2(1H)yl)acetonitrile
2(4ahydroxy1(345trimethoxyphenyl)13456788aoctahydroisoquinolin2yl)acetonitrile
COC1=CC(=CC(=C1OC)OC)C2C3CCCCC3(CCN2CC#N)O
InChI=1SC20H28N2O4c124161214(1317(252)19(16)263)1815645720(1523)81022(18)11921h1213151823H481011H213H3
MFCD04170623
N#CCN1CCC2(C((C@@H)1c1cc(OC)c(c(c1)OC)OC)CCCC2)O
ZINC000002136762
ZINC000055243772
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