Vitas-M small molecule compound
N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-2-nitrobenzamide
Catalog ID
STK519021
SMILES COc1ccc(cc1)C(N1CCCCCC1)CNC(=O)c1ccccc1[N+](=O)[O-]
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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 C22H27N3O4 MW 397.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N3O4/c1-29-18-12-10-17(11-13-18)21(24-14-6-2-3-7-15-24)16-23-22(26)19-8-4-5-9-20(19)25(27)28/h4-5,8-13,21H,2-3,6-7,14-16H2,1H3,(H,23,26)InChIKey
WQYOWKTVDIMTDY-UHFFFAOYSA-NSynonyms
COC1=CC=C(C=C1)C(CNC(=O)C2=CC=CC=C2(N+)(=O)(O))N3CCCCCC3
COc1ccc(cc1)C(N1CCCCCC1)CNC(=O)c1ccccc1(N+)(=O)(O)
InChI=1SC22H27N3O4c12918121017(111318)21(241462371524)162322(26)19845920(19)25(27)28h4581321H23671416H21H3(H2326)
MFCD12918631
N(2(azepan1yl)2(4methoxyphenyl)ethyl)2nitrobenzamide
ZINC000027793774
ZINC000027793777
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