Vitas-M small molecule compound
5-(azepan-1-yl)-2-nitro-N-(pyridin-3-ylmethyl)aniline
Catalog ID
STK206004
SMILES [O-][N+](=O)c1ccc(cc1NCc1cccnc1)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 C18H22N4O2 MW 326.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N4O2/c23-22(24)18-8-7-16(21-10-3-1-2-4-11-21)12-17(18)20-14-15-6-5-9-19-13-15/h5-9,12-13,20H,1-4,10-11,14H2InChIKey
OBNASWYHFLDSSQ-UHFFFAOYSA-NSynonyms
(O)(N+)(=O)c1ccc(cc1NCc1cccnc1)N1CCCCCC1
5(AZEPAN1YL)2NITRON(PYRIDIN3YLMETHYL)ANILINE
C1CCCN(CC1)C2=CC(=C(C=C2)(N+)(=O)(O))NCC3=CN=CC=C3
InChI=1SC18H22N4O2c2322(24)188716(211031241121)1217(18)201415659191315h59121320H14101114H2
MFCD06182160
ZINC000004740944
ZINC04740944
ZINC4740944
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