Vitas-M small molecule compound

1-(3,4-dichlorobenzyl)-5-methyl-3-nitro-1H-pyrazole

Catalog ID
STK313262
SMILES [O-][N+](=O)c1nn(c(c1)C)Cc1ccc(c(c1)Cl)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 C11H9Cl2N3O2 MW 286.12 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H9Cl2N3O2/c1-7-4-11(16(17)18)14-15(7)6-8-2-3-9(12)10(13)5-8/h2-5H,6H2,1H3
InChIKey
SQKMMZVWBRUZHT-UHFFFAOYSA-N
Synonyms
957310-33-7
(O)(N+)(=O)c1nn(c(c1)C)Cc1ccc(c(c1)Cl)Cl
1((34DICHLOROPHENYL)METHYL)5METHYL3NITROPYRAZOLE
1(34DICHLOROBENZYL)5METHYL3NITRO1H
1(34dichlorobenzyl)5methyl3nitro1Hpyrazole
957310337
CC1=CC(=NN1CC2=CC(=C(C=C2)Cl)Cl)(N+)(=O)(O)
InChI=1SC11H9Cl2N3O2c17411(16(17)18)1415(7)68239(12)10(13)58h25H6H21H3
MFCD02755682
ZINC000000614323
ZINC00614323
ZINC614323

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Available files

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