Vitas-M small molecule compound
methyl 4-[(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzoate
Catalog ID
STK065004
SMILES COC(=O)c1ccc(cc1)Cn1nc(c(c1C)Br)[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 C13H12BrN3O4 MW 354.16 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H12BrN3O4/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
FSOUCXGUESSIQR-UHFFFAOYSA-NSynonyms
386705-88-0386705880
4(4BROMO5METHYL3NITROPYRAZOL1YLMETHYL)BENZOICACIDMETHYLESTER
CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)OC)(N+)(=O)(O))Br
COC(=O)c1ccc(cc1)Cn1nc(c(c1C)Br)(N+)(=O)(O)
InChI=1SC13H12BrN3O4c1811(14)12(17(19)20)1516(8)793510(649)13(18)212h36H7H212H3
METHYL4((4BROMO5METHYL3NITRO1HPYRAZOL1YL)METHYL)BENZOATE
METHYL4((4BROMO5METHYL3NITROPYRAZOL1YL)METHYL)BENZOATE
MFCD02253926
STK065004
ZINC000004898308
ZINC04898308
ZINC4898308
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