Vitas-M small molecule compound
4-{[(3-bromophenyl)amino]methylidene}-5-methyl-2-(4-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK670955
SMILES Cc1ccc(cc1)N1N=C(/C(=C\Nc2cccc(c2)Br)/C1=O)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 C18H16BrN3O MW 370.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16BrN3O/c1-12-6-8-16(9-7-12)22-18(23)17(13(2)21-22)11-20-15-5-3-4-14(19)10-15/h3-11,20H,1-2H3/b17-11+InChIKey
XTUVLXJHROHSBH-GZTJUZNOSA-NSynonyms
(4E)4((3bromoanilino)methylidene)5methyl2(4methylphenyl)pyrazol3one
4(((3bromophenyl)amino)methylidene)5methyl2(4methylphenyl)24dihydro3Hpyrazol3one
CC1=CC=C(C=C1)N2C(=O)C(=CNC3=CC(=CC=C3)Br)C(=N2)C
Cc1ccc(cc1)N1N=C(C(=CNc2cccc(c2)Br)C1=O)C
InChI=1SC18H16BrN3Oc1126816(9712)2218(23)17(13(2)2122)11201553414(19)1015h31120H12H3b1711+
MFCD00740461
ZINC000015134051
ZINC000100040919
ZINC15134051
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