Vitas-M small molecule compound

3-(pentylamino)-1-propyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Catalog ID
STK830079
SMILES CCCCCNc1nc(CCC)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 C18H27N3 MW 285.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H27N3/c1-3-5-8-12-20-18-16(13-19)14-10-6-7-11-15(14)17(21-18)9-4-2/h3-12H2,1-2H3,(H,20,21)
InChIKey
YNDKTGJDUZNGJB-UHFFFAOYSA-N
Synonyms
371940-37-3
3(pentylamino)1propyl5678tetrahydroisoquinoline4carbonitrile
371940373
CCCCCNC1=NC(=C2CCCCC2=C1C#N)CCC
InChI=1SC18H27N3c135812201816(1319)1410671115(14)17(2118)942h312H212H3(H2021)
MFCD01562754
ZINC000020827462
ZINC20827462

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Available files

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