Vitas-M small molecule compound

(1,3-dimethyl-1H-pyrazol-4-yl)methyl 4-chloro-2-nitrobenzoate

Catalog ID
STK427053
SMILES Clc1ccc(c(c1)[N+](=O)[O-])C(=O)OCc1cn(nc1C)C

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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 C13H12ClN3O4 MW 309.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H12ClN3O4/c1-8-9(6-16(2)15-8)7-21-13(18)11-4-3-10(14)5-12(11)17(19)20/h3-6H,7H2,1-2H3
InChIKey
CZTJJGAIUGEGBP-UHFFFAOYSA-N
Synonyms

(13DIMETHYL1HPYRAZOL4YL)METHYL4CHLORO2NITROBENZOATE
(13DIMETHYLPYRAZOL4YL)METHYL4CHLORO2NITROBENZOATE
CC1=NN(C=C1COC(=O)C2=C(C=C(C=C2)Cl)(N+)(=O)(O))C
Clc1ccc(c(c1)(N+)(=O)(O))C(=O)OCc1cn(nc1C)C
InChI=1SC13H12ClN3O4c189(616(2)158)72113(18)114310(14)512(11)17(19)20h36H7H212H3
MFCD02609658
ZINC000002727099
ZINC02727099
ZINC2727099

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Available files

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