Vitas-M small molecule compound
(4E)-5-methyl-4-[5-nitro-2-(piperidin-1-yl)benzylidene]-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL416063
SMILES CC1=NN(C(=O)/C/1=C/c1cc(ccc1N1CCCCC1)[N+](=O)[O-])c1ccccc1
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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 C22H22N4O3 MW 390.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O3/c1-16-20(22(27)25(23-16)18-8-4-2-5-9-18)15-17-14-19(26(28)29)10-11-21(17)24-12-6-3-7-13-24/h2,4-5,8-11,14-15H,3,6-7,12-13H2,1H3/b20-15+InChIKey
RTKGIACLVCFCBN-HMMYKYKNSA-NSynonyms
(4E)5methyl4((5nitro2piperidin1ylphenyl)methylidene)2phenylpyrazol3one
(4E)5methyl4(5nitro2(piperidin1yl)benzylidene)2phenyl24dihydro3Hpyrazol3one
CC1=NN(C(=O)C1=Cc1cc(ccc1N1CCCCC1)(N+)(=O)(O))c1ccccc1
CC1=NN(C(=O)C1=CC2=C(C=CC(=C2)(N+)(=O)(O))N3CCCCC3)C4=CC=CC=C4
InChI=1SC22H22N4O3c11620(22(27)25(2316)188425918)15171419(26(28)29)101121(17)24126371324h2458111415H3671213H21H3b2015+
MFCD30706933
ZINC000220957817
ZINC220957817
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