Vitas-M small molecule compound

1-butyl-3-[(2-hydroxyethyl)amino]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Catalog ID
STK830085
SMILES CCCCc1nc(NCCO)c(c2c1CCCC2)C#N

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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 C16H23N3O MW 273.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H23N3O/c1-2-3-8-15-13-7-5-4-6-12(13)14(11-17)16(19-15)18-9-10-20/h20H,2-10H2,1H3,(H,18,19)
InChIKey
HKUVCNAAVYKKAI-UHFFFAOYSA-N
Synonyms
371203-04-2
1butyl3((2hydroxyethyl)amino)5678tetrahydroisoquinoline4carbonitrile
1butyl3(2hydroxyethylamino)5678tetrahydroisoquinoline4carbonitrile
371203042
CCCCC1=C2CCCCC2=C(C(=N1)NCCO)C#N
InChI=1SC16H23N3Oc12381513754612(13)14(1117)16(1915)1891020h20H210H21H3(H1819)
MFCD01564970
ZINC000019940054
ZINC19940054

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Available files

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