Vitas-M small molecule compound

N-{(E)-[5-nitro-2-(piperidin-1-yl)phenyl]methylidene}-4H-1,2,4-triazol-4-amine

Catalog ID
STK760017
SMILES [O-][N+](=O)c1ccc(c(c1)/C=N/n1cnnc1)N1CCCCC1

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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 C14H16N6O2 MW 300.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H16N6O2/c21-20(22)13-4-5-14(18-6-2-1-3-7-18)12(8-13)9-17-19-10-15-16-11-19/h4-5,8-11H,1-3,6-7H2/b17-9+
InChIKey
UQVUEQYLQYLDFJ-RQZCQDPDSA-N
Synonyms

(E)1(5nitro2piperidin1ylphenyl)N(124triazol4yl)methanimine
(O)(N+)(=O)c1ccc(c(c1)C=Nn1cnnc1)N1CCCCC1
C1CCN(CC1)C2=C(C=C(C=C2)(N+)(=O)(O))C=NN3C=NN=C3
InChI=1SC14H16N6O2c2120(22)134514(186213718)12(813)917191015161119h45811H1367H2b179+
MFCD00469430
N((E)(5nitro2(piperidin1yl)phenyl)methylidene)4H124triazol4amine
ZINC000004182166
ZINC22147498

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Available files

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