Vitas-M small molecule compound
4-bromo-3,5-bis(3,4-dimethoxyphenyl)-1-[(3-nitro-1H-pyrazol-1-yl)methyl]-1H-pyrazole
Catalog ID
STK313761
SMILES COc1cc(ccc1OC)c1nn(c(c1Br)c1ccc(c(c1)OC)OC)Cn1ccc(n1)[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 C23H22BrN5O6 MW 544.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22BrN5O6/c1-32-16-7-5-14(11-18(16)34-3)22-21(24)23(15-6-8-17(33-2)19(12-15)35-4)28(26-22)13-27-10-9-20(25-27)29(30)31/h5-12H,13H2,1-4H3InChIKey
DVNOKDMBLBFRAC-UHFFFAOYSA-NSynonyms
1007195-64-31007195643
4bromo35bis(34dimethoxyphenyl)1((3nitro1Hpyrazol1yl)methyl)1Hpyrazole
4bromo35bis(34dimethoxyphenyl)1((3nitropyrazol1yl)methyl)pyrazole
COC1=C(C=C(C=C1)C2=C(C(=NN2CN3C=CC(=N3)(N+)(=O)(O))C4=CC(=C(C=C4)OC)OC)Br)OC
COc1cc(ccc1OC)c1nn(c(c1Br)c1ccc(c(c1)OC)OC)Cn1ccc(n1)(N+)(=O)(O)
InChI=1SC23H22BrN5O6c132167514(1118(16)343)2221(24)23(156817(332)19(1215)354)28(2622)132710920(2527)29(30)31h512H13H214H3
MFCD08551367
ZINC000097947861
ZINC97947861
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