Vitas-M small molecule compound

methyl 2-chloro-5-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)benzoate

Catalog ID
STK688123
SMILES COC(=O)c1cc(ccc1Cl)n1nc(c(c1C)[N+](=O)[O-])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/c1-7-12(17(19)20)8(2)16(15-7)9-4-5-11(14)10(6-9)13(18)21-3/h4-6H,1-3H3
InChIKey
CMVDDODZMQLRIU-UHFFFAOYSA-N
Synonyms

CC1=C(C(=NN1C2=CC(=C(C=C2)Cl)C(=O)OC)C)(N+)(=O)(O)
COC(=O)c1cc(ccc1Cl)n1nc(c(c1C)(N+)(=O)(O))C
InChI=1SC13H12ClN3O4c1712(17(19)20)8(2)16(157)94511(14)10(69)13(18)213h46H13H3
methyl2chloro5(35dimethyl4nitro1Hpyrazol1yl)benzoate
METHYL2CHLORO5(35DIMETHYL4NITROPYRAZOL1YL)BENZOATE
METHYL5(35DIMETHYL4NITROPYRAZOLYL)2CHLOROBENZOATE
MFCD07023002
ZINC000004771057
ZINC04771057
ZINC4771057

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Available files

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