Vitas-M small molecule compound
4-bromo-N-(3,4-dimethoxyphenyl)-3-nitro-1H-pyrazole-5-carboxamide
Catalog ID
STK965998
SMILES COc1cc(ccc1OC)NC(=O)c1[nH]nc(c1Br)[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 C12H11BrN4O5 MW 371.15 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H11BrN4O5/c1-21-7-4-3-6(5-8(7)22-2)14-12(18)10-9(13)11(16-15-10)17(19)20/h3-5H,1-2H3,(H,14,18)(H,15,16)InChIKey
BRGJIZMWGWLMOL-UHFFFAOYSA-NSynonyms
897915-79-64bromoN(34dimethoxyphenyl)3nitro1Hpyrazole5carboxamide
897915796
COC1=C(C=C(C=C1)NC(=O)C2=C(C(=NN2)(N+)(=O)(O))Br)OC
COc1cc(ccc1OC)NC(=O)c1(nH)nc(c1Br)(N+)(=O)(O)
InChI=1SC12H11BrN4O5c1217436(58(7)222)1412(18)109(13)11(161510)17(19)20h35H12H3(H1418)(H1516)
MFCD02605853
ZINC000000998921
ZINC00998921
ZINC998921
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