Vitas-M small molecule compound
5-methyl-1-(2-methylbenzyl)-3-nitro-1H-pyrazole
Catalog ID
STK313395
SMILES Cc1ccccc1Cn1nc(cc1C)[N+](=O)[O-]
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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 C12H13N3O2 MW 231.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H13N3O2/c1-9-5-3-4-6-11(9)8-14-10(2)7-12(13-14)15(16)17/h3-7H,8H2,1-2H3InChIKey
HHNLXDQLUQGGJY-UHFFFAOYSA-NSynonyms
898053-51-55METHYL1((2METHYLPHENYL)METHYL)3NITROPYRAZOLE
5methyl1(2methylbenzyl)3nitro1Hpyrazole
898053515
CC1=CC=CC=C1CN2C(=CC(=N2)(N+)(=O)(O))C
Cc1ccccc1Cn1nc(cc1C)(N+)(=O)(O)
InChI=1SC12H13N3O2c19534611(9)81410(2)712(1314)15(16)17h37H8H212H3
MFCD04970019
ZINC000002537793
ZINC02537793
ZINC2537793
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