Vitas-M small molecule compound

3-(4-methylphenyl)-5,5a,6,7,8,9-hexahydro-4H-1,2-benzodiazepine

Catalog ID
STL344478
SMILES Cc1ccc(cc1)C1=NN=C2C(CC1)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 C16H20N2 MW 240.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H20N2/c1-12-6-8-14(9-7-12)16-11-10-13-4-2-3-5-15(13)17-18-16/h6-9,13H,2-5,10-11H2,1H3
InChIKey
FWSLTJIVGMNYCV-UHFFFAOYSA-N
Synonyms
846581-91-7
3(4methylphenyl)55a6789hexahydro4H12benzodiazepine
3(ptolyl)55a6789hexahydro4Hbenzo(c)(12)diazepine
846581917
CC1=CC=C(C=C1)C2=NN=C3CCCCC3CC2
InChI=1SC16H20N2c1126814(9712)16111013423515(13)171816h6913H251011H21H3
MFCD04177337
ZINC000000540738
ZINC000000540739

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Available files

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