Vitas-M small molecule compound
N-[2-(azepan-1-ylcarbonyl)phenyl]-2-methyl-3-nitrobenzamide
Catalog ID
STK257136
SMILES O=C(c1ccccc1NC(=O)c1cccc(c1C)[N+](=O)[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 C21H23N3O4 MW 381.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O4/c1-15-16(10-8-12-19(15)24(27)28)20(25)22-18-11-5-4-9-17(18)21(26)23-13-6-2-3-7-14-23/h4-5,8-12H,2-3,6-7,13-14H2,1H3,(H,22,25)InChIKey
CCILBARUJQASAT-UHFFFAOYSA-NSynonyms
CC1=C(C=CC=C1(N+)(=O)(O))C(=O)NC2=CC=CC=C2C(=O)N3CCCCCC3
InChI=1SC21H23N3O4c11516(1081219(15)24(27)28)20(25)22181154917(18)21(26)231362371423h45812H23671314H21H3(H2225)
MFCD08672250
N(2(AZEPAN1YLCARBONYL)PHENYL)2METHYL3NITROBENZAMIDE
N(2(azepane1carbonyl)phenyl)2methyl3nitrobenzamide
O=C(c1ccccc1NC(=O)c1cccc(c1C)(N+)(=O)(O))N1CCCCCC1
ZINC000009355998
ZINC09355998
ZINC9355998
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