Vitas-M small molecule compound

N-[2-(azepan-1-yl)-2-(2-chlorophenyl)ethyl]-3-methylbenzamide

Catalog ID
STK518540
SMILES Cc1cccc(c1)C(=O)NCC(c1ccccc1Cl)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 C22H27ClN2O MW 370.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27ClN2O/c1-17-9-8-10-18(15-17)22(26)24-16-21(19-11-4-5-12-20(19)23)25-13-6-2-3-7-14-25/h4-5,8-12,15,21H,2-3,6-7,13-14,16H2,1H3,(H,24,26)
InChIKey
LRKCBFPBUHVCBQ-UHFFFAOYSA-N
Synonyms

CC1=CC=CC(=C1)C(=O)NCC(C2=CC=CC=C2Cl)N3CCCCCC3
InChI=1SC22H27ClN2Oc117981018(1517)22(26)241621(1911451220(19)23)251362371425h458121521H2367131416H21H3(H2426)
MFCD12918197
N(2(azepan1yl)2(2chlorophenyl)ethyl)3methylbenzamide
ZINC000027749350
ZINC000027749359

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Available files

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