Vitas-M small molecule compound

3-(butylamino)-1-ethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Catalog ID
STK830182
SMILES CCCCNc1nc(CC)c2c(c1C#N)CCCC2

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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 C16H23N3 MW 257.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H23N3/c1-3-5-10-18-16-14(11-17)12-8-6-7-9-13(12)15(4-2)19-16/h3-10H2,1-2H3,(H,18,19)
InChIKey
AFUUGKRJZCNTAF-UHFFFAOYSA-N
Synonyms

3(butylamino)1ethyl5678tetrahydroisoquinoline4carbonitrile
CCCCNC1=NC(=C2CCCCC2=C1C#N)CC
InChI=1SC16H23N3c13510181614(1117)12867913(12)15(42)1916h310H212H3(H1819)
MFCD01958660
ZINC000019708325
ZINC19708325

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Available files

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