Vitas-M small molecule compound
(4E)-4-{[5-(2-bromo-4-methylphenyl)furan-2-yl]methylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL419013
SMILES Cc1ccc(c(c1)Br)c1ccc(o1)/C=C/1\C(=NN(C1=O)c1ccccc1)C
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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 C22H17BrN2O2 MW 421.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17BrN2O2/c1-14-8-10-18(20(23)12-14)21-11-9-17(27-21)13-19-15(2)24-25(22(19)26)16-6-4-3-5-7-16/h3-13H,1-2H3/b19-13+InChIKey
LSMSFMPNVDHIKC-CPNJWEJPSA-NSynonyms
(4E)4((5(2bromo4methylphenyl)furan2yl)methylidene)5methyl2phenyl24dihydro3Hpyrazol3one
(4E)4((5(2BROMO4METHYLPHENYL)FURAN2YL)METHYLIDENE)5METHYL2PHENYLPYRAZOL3ONE
4((5(2BROMO4METHYLPHENYL)2FURYL)METHYLENE)5METHYL2PHENYL24DIHYDRO3HPYRAZOL3ONE
CC1=CC(=C(C=C1)C2=CC=C(O2)C=C3C(=NN(C3=O)C4=CC=CC=C4)C)Br
Cc1ccc(c(c1)Br)c1ccc(o1)C=C1C(=NN(C1=O)c1ccccc1)C
InChI=1SC22H17BrN2O2c11481018(20(23)1214)2111917(2721)131915(2)2425(22(19)26)166435716h313H12H3b1913+
MFCD03235323
ZINC000000680913
ZINC00680913
ZINC680913
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