Vitas-M small molecule compound

5-methyl-3-nitro-1-(pentafluorobenzyl)-1H-pyrazole

Catalog ID
STK312260
SMILES [O-][N+](=O)c1nn(c(c1)C)Cc1c(F)c(F)c(c(c1F)F)F

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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 C11H6F5N3O2 MW 307.18 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H6F5N3O2/c1-4-2-6(19(20)21)17-18(4)3-5-7(12)9(14)11(16)10(15)8(5)13/h2H,3H2,1H3
InChIKey
BOOUZYOQMASAGI-UHFFFAOYSA-N
Synonyms
957480-99-8
(O)(N+)(=O)c1nn(c(c1)C)Cc1c(F)c(F)c(c(c1F)F)F
5methyl3nitro1((23456pentafluorophenyl)methyl)pyrazole
5methyl3nitro1(pentafluorobenzyl)1Hpyrazole
5METHYL3NITRO1PENTAFLUOROPHENYLMETHYL1H
5METHYL3NITRO1PENTAFLUOROPHENYLMETHYL1HPYRAZOLE
957480998
CC1=CC(=NN1CC2=C(C(=C(C(=C2F)F)F)F)F)(N+)(=O)(O)
InChI=1SC11H6F5N3O2c1426(19(20)21)1718(4)357(12)9(14)11(16)10(15)8(5)13h2H3H21H3
MFCD04970022
ZINC000002537795
ZINC02537795
ZINC2537795

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Available files

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