Vitas-M small molecule compound

(4Z)-2-(4-fluorophenyl)-5-methyl-4-{[(2-methylphenyl)amino]methylidene}-2,4-dihydro-3H-pyrazol-3-one

Catalog ID
STK957906
SMILES Fc1ccc(cc1)N1N=C(/C(=C/Nc2ccccc2C)/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 C18H16FN3O MW 309.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16FN3O/c1-12-5-3-4-6-17(12)20-11-16-13(2)21-22(18(16)23)15-9-7-14(19)8-10-15/h3-11,20H,1-2H3/b16-11-
InChIKey
URKKLGJHTZHYJR-WJDWOHSUSA-N
Synonyms
352700-54-0
(4Z)2(4fluorophenyl)5methyl4(((2methylphenyl)amino)methylidene)24dihydro3Hpyrazol3one
(4Z)2(4fluorophenyl)5methyl4((2methylanilino)methylidene)pyrazol3one
352700540
CC1=CC=CC=C1NC=C2C(=NN(C2=O)C3=CC=C(C=C3)F)C
Fc1ccc(cc1)N1N=C(C(=CNc2ccccc2C)C1=O)C
InChI=1SC18H16FN3Oc112534617(12)20111613(2)2122(18(16)23)159714(19)81015h31120H12H3b1611
MFCD01647990
ZINC000006860978
ZINC06860978
ZINC6860978

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.