Vitas-M small molecule compound
[1-(4-chlorobenzyl)-1H-1,2,4-triazol-4-ium-4-yl](nitro)azanide
Catalog ID
STK676017
SMILES [O-][N+](=O)[N-][n+]1cnn(c1)Cc1ccc(cc1)Cl
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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 C9H8ClN5O2 MW 253.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C9H8ClN5O2/c10-9-3-1-8(2-4-9)5-13-7-14(6-11-13)12-15(16)17/h1-4,6-7H,5H2InChIKey
MJJUAAVBCAZFOR-UHFFFAOYSA-NSynonyms
(1((4CHLOROPHENYL)METHYL)(124TRIAZOL4YL))NITROAMINE
(1((4CHLOROPHENYL)METHYL)124TRIAZOL4IUM4YL)NITROAZANIDE
(1(4chlorobenzyl)1H124triazol4ium4yl)(nitro)azanide
(O)(N+)(=O)(N)(n+)1cnn(c1)Cc1ccc(cc1)Cl
C1=CC(=CC=C1CN2C=(N+)(C=N2)(N)(N+)(=O)(O))Cl
InChI=1SC9H8ClN5O2c109318(249)513714(61113)1215(16)17h1467H5H2
MFCD01893163
ZINC000012374483
ZINC04536534
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