Vitas-M small molecule compound

azepan-1-yl[2-(3,4-dimethylphenyl)-6-methylquinolin-4-yl]methanone

Catalog ID
STK446495
SMILES Cc1ccc2c(c1)c(cc(n2)c1ccc(c(c1)C)C)C(=O)N1CCCCCC1

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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 C25H28N2O MW 372.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N2O/c1-17-8-11-23-21(14-17)22(25(28)27-12-6-4-5-7-13-27)16-24(26-23)20-10-9-18(2)19(3)15-20/h8-11,14-16H,4-7,12-13H2,1-3H3
InChIKey
SHBAFENOLWERHU-UHFFFAOYSA-N
Synonyms

AZAPERHYDROEPINYL2(34DIMETHYLPHENYL)6METHYL(4QUINOLYL)KETONE
azepan1yl(2(34dimethylphenyl)6methylquinolin4yl)methanone
CC1=CC2=C(C=C1)N=C(C=C2C(=O)N3CCCCCC3)C4=CC(=C(C=C4)C)C
InChI=1SC25H28N2Oc1178112321(1417)22(25(28)271264571327)1624(2623)2010918(2)19(3)1520h8111416H471213H213H3
MFCD04058670
ZINC000006789011
ZINC06789011
ZINC6789011

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Available files

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