Vitas-M small molecule compound

(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)(2-chloro-5-nitrophenyl)methanone

Catalog ID
STK001858
SMILES Clc1ccc(cc1C(=O)n1nc(c(c1C)Cl)C)[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 C12H9Cl2N3O3 MW 314.13 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H9Cl2N3O3/c1-6-11(14)7(2)16(15-6)12(18)9-5-8(17(19)20)3-4-10(9)13/h3-5H,1-2H3
InChIKey
ZSSMDYHFICQJHR-UHFFFAOYSA-N
Synonyms
360784-46-9
(4CHLORO35DIMETHYL1HPYRAZOL1YL)(2CHLORO5NITROPHENYL)METHANONE
(4CHLORO35DIMETHYLPYRAZOL1YL)(2CHLORO5NITROPHENYL)METHANONE
360784469
4CHLORO1(2CHLORO5NITROBENZOYL)35DIMETHYL1HPYRAZOLE
4CHLORO35DIMETHYLPYRAZOLYL2CHLORO5NITROPHENYLKETONE
CC1=C(C(=NN1C(=O)C2=C(C=CC(=C2)(N+)(=O)(O))Cl)C)Cl
Clc1ccc(cc1C(=O)n1nc(c(c1C)Cl)C)(N+)(=O)(O)
InChI=1SC12H9Cl2N3O3c1611(14)7(2)16(156)12(18)958(17(19)20)3410(9)13h35H12H3
METHANONE(4CHLORO35DIMETHYL1PYRAZOLYL)(2CHLORO5NITROPHENYL)
MFCD02631268
STK001858
ZINC000000138220
ZINC00138220
ZINC138220

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Available files

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