Vitas-M small molecule compound

azepan-1-yl(4-hydroxy-3-methoxyphenyl)acetonitrile

Catalog ID
STK943798
SMILES N#CC(c1ccc(c(c1)OC)O)N1CCCCCC1

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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 C15H20N2O2 MW 260.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H20N2O2/c1-19-15-10-12(6-7-14(15)18)13(11-16)17-8-4-2-3-5-9-17/h6-7,10,13,18H,2-5,8-9H2,1H3
InChIKey
NUVHEHXLBXHODA-UHFFFAOYSA-N
Synonyms
17766-42-6
17766426
2(AZEPAN1YL)2(4HYDROXY3METHOXYPHENYL)ACETONITRILE
2AZAPERHYDROEPINYL2(4HYDROXY3METHOXYPHENYL)ETHANENITRILE
azepan1yl(4hydroxy3methoxyphenyl)acetonitrile
COC1=C(C=CC(=C1)C(C#N)N2CCCCCC2)O
InChI=1SC15H20N2O2c119151012(6714(15)18)13(1116)1784235917h67101318H2589H21H3
MFCD01954626
ZINC000049573690
ZINC000049573691

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.