Vitas-M small molecule compound

2-amino-4-(4-methylphenyl)-5,6,7,8,9,10,11,12,13,14-decahydrocyclododeca[b]pyridine-3-carbonitrile

Catalog ID
STK723488
SMILES N#Cc1c(N)nc2c(c1c1ccc(cc1)C)CCCCCCCCCC2

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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 C23H29N3 MW 347.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H29N3/c1-17-12-14-18(15-13-17)22-19-10-8-6-4-2-3-5-7-9-11-21(19)26-23(25)20(22)16-24/h12-15H,2-11H2,1H3,(H2,25,26)
InChIKey
BBXHLWGKVJGASL-UHFFFAOYSA-N
Synonyms
330827-81-1
2amino4(4methylphenyl)567891011121314decahydrocyclododeca(b)pyridine3carbonitrile
2amino4(ptolyl)567891011121314decahydrocyclododeca(b)pyridine3carbonitrile
330827811
CC1=CC=C(C=C1)C2=C(C(=NC3=C2CCCCCCCCCC3)N)C#N
InChI=1SC23H29N3c117121418(151317)221910864235791121(19)2623(25)20(22)1624h1215H211H21H3(H22526)
MFCD01455245
ZINC000035939832
ZINC35939832

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Available files

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