Vitas-M small molecule compound
2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(3-methoxy-5-nitrophenyl)acetamide
Catalog ID
STK751294
SMILES COc1cc(NC(=O)Cn2nc(c(c2C)Br)[N+](=O)[O-])cc(c1)[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 C13H12BrN5O6 MW 414.17 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H12BrN5O6/c1-7-12(14)13(19(23)24)16-17(7)6-11(20)15-8-3-9(18(21)22)5-10(4-8)25-2/h3-5H,6H2,1-2H3,(H,15,20)InChIKey
CKRGDNGXLJXIEB-UHFFFAOYSA-NSynonyms
321142-80-72(4bromo5methyl3nitro1Hpyrazol1yl)N(3methoxy5nitrophenyl)acetamide
2(4BROMO5METHYL3NITROPYRAZOL1YL)N(3METHOXY5NITROPHENYL)ACETAMIDE
321142807
CC1=C(C(=NN1CC(=O)NC2=CC(=CC(=C2)OC)(N+)(=O)(O))(N+)(=O)(O))Br
COc1cc(NC(=O)Cn2nc(c(c2C)Br)(N+)(=O)(O))cc(c1)(N+)(=O)(O)
InChI=1SC13H12BrN5O6c1712(14)13(19(23)24)1617(7)611(20)15839(18(21)22)510(48)252h35H6H212H3(H1520)
MFCD00293884
ZINC000002807339
ZINC02807339
ZINC2807339
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