Vitas-M small molecule compound
N-(4-{[7-(azepan-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}phenyl)acetamide
Catalog ID
STK841301
SMILES CC(=O)Nc1ccc(cc1)Nc1cc(N2CCCCCC2)c2c(c1[N+](=O)[O-])non2
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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 C20H22N6O4 MW 410.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N6O4/c1-13(27)21-14-6-8-15(9-7-14)22-16-12-17(25-10-4-2-3-5-11-25)18-19(24-30-23-18)20(16)26(28)29/h6-9,12,22H,2-5,10-11H2,1H3,(H,21,27)InChIKey
MOWYEVIQUNTKFC-UHFFFAOYSA-NSynonyms
429654-56-8429654568
CC(=O)NC1=CC=C(C=C1)NC2=C(C3=NON=C3C(=C2)N4CCCCCC4)(N+)(=O)(O)
CC(=O)Nc1ccc(cc1)Nc1cc(N2CCCCCC2)c2c(c1(N+)(=O)(O))non2
InChI=1SC20H22N6O4c113(27)21146815(9714)22161217(251042351125)1819(24302318)20(16)26(28)29h691222H251011H21H3(H2127)
MFCD03138310
N(4((7(azepan1yl)4nitro213benzoxadiazol5yl)amino)phenyl)acetamide
N(4((7(azepan1yl)4nitrobenzo(c)(125)oxadiazol5yl)amino)phenyl)acetamide
ZINC000004754556
ZINC04754556
ZINC4754556
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