Vitas-M small molecule compound

4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-6-(piperidin-1-yl)-1,3,5-triazin-2-amine

Catalog ID
STK786325
SMILES Nc1nc(nc(n1)N1CCCCC1)Cn1nc(c(c1C)[N+](=O)[O-])C

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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 C14H20N8O2 MW 332.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H20N8O2/c1-9-12(22(23)24)10(2)21(19-9)8-11-16-13(15)18-14(17-11)20-6-4-3-5-7-20/h3-8H2,1-2H3,(H2,15,16,17,18)
InChIKey
KGWNPNOQMUDNIK-UHFFFAOYSA-N
Synonyms

4((35dimethyl4nitro1Hpyrazol1yl)methyl)6(piperidin1yl)135triazin2amine
4((35DIMETHYL4NITROPYRAZOL1YL)METHYL)6PIPERIDIN1YL135TRIAZIN2AMINE
CC1=C(C(=NN1CC2=NC(=NC(=N2)N)N3CCCCC3)C)(N+)(=O)(O)
InChI=1SC14H20N8O2c1912(22(23)24)10(2)21(199)8111613(15)1814(1711)206435720h38H212H3(H215161718)
MFCD08532214
Nc1nc(nc(n1)N1CCCCC1)Cn1nc(c(c1C)(N+)(=O)(O))C
ZINC000006668843
ZINC06668843
ZINC6668843

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Available files

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