Vitas-M small molecule compound
1-benzyl-3,5-dimethyl-4-nitro-1H-pyrazole
Catalog ID
STK400326
SMILES [O-][N+](=O)c1c(C)nn(c1C)Cc1ccccc1
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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/c1-9-12(15(16)17)10(2)14(13-9)8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3InChIKey
MYVFMBDPEXBOSC-UHFFFAOYSA-NSynonyms
100193-74-6(O)(N+)(=O)c1c(C)nn(c1C)Cc1ccccc1
100193746
1benzyl35dimethyl4nitro1Hpyrazole
1BENZYL35DIMETHYL4NITROPYRAZOLE
1BENZYL4NITRO35DIMETHYL1HPYRAZOLE
35DIMETHYL4NITRO1BENZYLPYRAZOLE
CC1=C(C(=NN1CC2=CC=CC=C2)C)(N+)(=O)(O)
InChI=1SC12H13N3O2c1912(15(16)17)10(2)14(139)8116435711h37H8H212H3
MFCD00546042
ZINC000000055325
ZINC00055325
ZINC55325
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