Vitas-M small molecule compound

azepan-1-yl{3-[(2,5-dichlorophenoxy)methyl]phenyl}methanone

Catalog ID
STK958652
SMILES Clc1ccc(c(c1)OCc1cccc(c1)C(=O)N1CCCCCC1)Cl

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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 C20H21Cl2NO2 MW 378.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21Cl2NO2/c21-17-8-9-18(22)19(13-17)25-14-15-6-5-7-16(12-15)20(24)23-10-3-1-2-4-11-23/h5-9,12-13H,1-4,10-11,14H2
InChIKey
SOXNUZKUJRWBNL-UHFFFAOYSA-N
Synonyms
438466-67-2
438466672
azepan1yl(3((25dichlorophenoxy)methyl)phenyl)methanone
C1CCCN(CC1)C(=O)C2=CC(=CC=C2)COC3=C(C=CC(=C3)Cl)Cl
InChI=1SC20H21Cl2NO2c21178918(22)19(1317)25141565716(1215)20(24)231031241123h591213H14101114H2
MFCD02174543
ZINC000000672037
ZINC00672037
ZINC672037

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Available files

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