Vitas-M small molecule compound
(4E)-4-{[(2-bromo-4-methylphenyl)amino]methylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK898007
SMILES Cc1ccc(c(c1)Br)N/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 C18H16BrN3O MW 370.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16BrN3O/c1-12-8-9-17(16(19)10-12)20-11-15-13(2)21-22(18(15)23)14-6-4-3-5-7-14/h3-11,20H,1-2H3/b15-11+InChIKey
XXAOILJULCXADZ-RVDMUPIBSA-NSynonyms
(4E)4(((2bromo4methylphenyl)amino)methylidene)5methyl2phenyl24dihydro3Hpyrazol3one
(4E)4((2bromo4methylanilino)methylidene)5methyl2phenylpyrazol3one
CC1=CC(=C(C=C1)NC=C2C(=NN(C2=O)C3=CC=CC=C3)C)Br
Cc1ccc(c(c1)Br)NC=C1C(=NN(C1=O)c1ccccc1)C
InChI=1SC18H16BrN3Oc1128917(16(19)1012)20111513(2)2122(18(15)23)146435714h31120H12H3b1511+
MFCD18172776
ZINC000004409892
ZINC4409892
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