Vitas-M small molecule compound

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

Catalog ID
STK871383
SMILES Cc1nn(c(c1)C)C(=O)c1ccc(c(c1)[N+](=O)[O-])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 C12H10ClN3O3 MW 279.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H10ClN3O3/c1-7-5-8(2)15(14-7)12(17)9-3-4-10(13)11(6-9)16(18)19/h3-6H,1-2H3
InChIKey
VMERKGDLYXXCQW-UHFFFAOYSA-N
Synonyms
357387-83-8
(4chloro3nitrophenyl)(35dimethyl1Hpyrazol1yl)methanone
(4CHLORO3NITROPHENYL)(35DIMETHYLPYRAZOL1YL)METHANONE
357387838
35DIMETHYLPYRAZOLYL4CHLORO3NITROPHENYLKETONE
CC1=CC(=NN1C(=O)C2=CC(=C(C=C2)Cl)(N+)(=O)(O))C
Cc1nn(c(c1)C)C(=O)c1ccc(c(c1)(N+)(=O)(O))Cl
InChI=1SC12H10ClN3O3c1758(2)15(147)12(17)93410(13)11(69)16(18)19h36H12H3
MFCD00828076
ZINC000000138217
ZINC00138217
ZINC138217

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Available files

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