Vitas-M small molecule compound

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

Catalog ID
STK508344
SMILES Cc1nn(c(c1)C)C(=O)c1ccc(c(c1)Cl)[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 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)9-3-4-11(16(18)19)10(13)6-9/h3-6H,1-2H3
InChIKey
CVGKDCLAKDUDSO-UHFFFAOYSA-N
Synonyms
371923-83-0
(3chloro4nitrophenyl)(35dimethyl1Hpyrazol1yl)methanone
(3CHLORO4NITROPHENYL)(35DIMETHYLPYRAZOL1YL)METHANONE
1(3CHLORO4NITROBENZOYL)35DIMETHYL1HPYRAZOLE
371923830
CC1=CC(=NN1C(=O)C2=CC(=C(C=C2)(N+)(=O)(O))Cl)C
Cc1nn(c(c1)C)C(=O)c1ccc(c(c1)Cl)(N+)(=O)(O)
InChI=1SC12H10ClN3O3c1758(2)15(147)12(17)93411(16(18)19)10(13)69h36H12H3
MFCD03007208
ZINC000000306453
ZINC00306453
ZINC306453

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Available files

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