Vitas-M small molecule compound
methyl 4-[(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzoate
Catalog ID
STK825440
SMILES COC(=O)c1ccc(cc1)Cn1nc(c(c1C)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 C13H12ClN3O4 MW 309.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H12ClN3O4/c1-8-11(14)12(17(19)20)15-16(8)7-9-3-5-10(6-4-9)13(18)21-2/h3-6H,7H2,1-2H3InChIKey
XPHOCKAZGMMACH-UHFFFAOYSA-NSynonyms
312601-77-7312601777
4(4CHLORO5METHYL3NITROPYRAZOL1YLMETHYL)BENZOICACIDMETHYLESTER
CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)OC)(N+)(=O)(O))Cl
COC(=O)c1ccc(cc1)Cn1nc(c(c1C)Cl)(N+)(=O)(O)
InChI=1SC13H12ClN3O4c1811(14)12(17(19)20)1516(8)793510(649)13(18)212h36H7H212H3
methyl4((4chloro5methyl3nitro1Hpyrazol1yl)methyl)benzoate
METHYL4((4CHLORO5METHYL3NITROPYRAZOL1YL)METHYL)BENZOATE
METHYL4((4CHLORO5METHYL3NITROPYRAZOLYL)METHYL)BENZOATE
MFCD01857871
ZINC000000502163
ZINC00502163
ZINC502163
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