Vitas-M small molecule compound
(4E)-5-methyl-4-{[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylidene}-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK828095
SMILES CC1=NN(C(=O)/C/1=C/c1ccc(o1)c1ccc(cc1C)[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 C22H17N3O4 MW 387.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17N3O4/c1-14-12-17(25(27)28)8-10-19(14)21-11-9-18(29-21)13-20-15(2)23-24(22(20)26)16-6-4-3-5-7-16/h3-13H,1-2H3/b20-13+InChIKey
CIYZTMZORXGPCP-DEDYPNTBSA-NSynonyms
(4E)5methyl4((5(2methyl4nitrophenyl)furan2yl)methylidene)2phenyl24dihydro3Hpyrazol3one
(4E)5METHYL4((5(2METHYL4NITROPHENYL)FURAN2YL)METHYLIDENE)2PHENYLPYRAZOL3ONE
(E)3methyl4((5(2methyl4nitrophenyl)furan2yl)methylene)1phenyl1Hpyrazol5(4H)one
CC1=C(C=CC(=C1)(N+)(=O)(O))C2=CC=C(O2)C=C3C(=NN(C3=O)C4=CC=CC=C4)C
CC1=NN(C(=O)C1=Cc1ccc(o1)c1ccc(cc1C)(N+)(=O)(O))c1ccccc1
InChI=1SC22H17N3O4c1141217(25(27)28)81019(14)2111918(2921)132015(2)2324(22(20)26)166435716h313H12H3b2013+
MFCD02120505
ZINC000004812380
ZINC04812380
ZINC4812380
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