Vitas-M small molecule compound
(4E)-4-{[5-(3-chloro-4-methylphenyl)furan-2-yl]methylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK088518
SMILES CC1=NN(C(=O)/C/1=C/c1ccc(o1)c1ccc(c(c1)Cl)C)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 C22H17ClN2O2 MW 376.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17ClN2O2/c1-14-8-9-16(12-20(14)23)21-11-10-18(27-21)13-19-15(2)24-25(22(19)26)17-6-4-3-5-7-17/h3-13H,1-2H3/b19-13+InChIKey
KYWKRHWLNWJVCW-CPNJWEJPSA-NSynonyms
(4E)4((5(3CHLORO4METHYLPHENYL)FURAN2YL)METHYLIDENE)5METHYL2PHENYL24DIHYDRO3HPYRAZOL3ONE
(4E)4((5(3CHLORO4METHYLPHENYL)FURAN2YL)METHYLIDENE)5METHYL2PHENYLPYRAZOL3ONE
(E)4((5(3chloro4methylphenyl)furan2yl)methylene)3methyl1phenyl1Hpyrazol5(4H)one
CC1=C(C=C(C=C1)C2=CC=C(O2)C=C3C(=NN(C3=O)C4=CC=CC=C4)C)Cl
CC1=NN(C(=O)C1=Cc1ccc(o1)c1ccc(c(c1)Cl)C)c1ccccc1
InChI=1SC22H17ClN2O2c1148916(1220(14)23)21111018(2721)131915(2)2425(22(19)26)176435717h313H12H3b1913+
MFCD02120453
STK088518
ZINC000001308354
ZINC01308354
ZINC1308354
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