Vitas-M small molecule compound

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

Catalog ID
STK852506
SMILES Fc1ccc(cc1)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 C17H14FN3O MW 295.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14FN3O/c1-12-16(11-19-14-9-7-13(18)8-10-14)17(22)21(20-12)15-5-3-2-4-6-15/h2-11,19H,1H3/b16-11+
InChIKey
FVMRIOYMIOSPLQ-LFIBNONCSA-N
Synonyms

(4E)4(((4fluorophenyl)amino)methylidene)5methyl2phenyl24dihydro3Hpyrazol3one
(4E)4((4FLUOROANILINO)METHYLIDENE)5METHYL2PHENYLPYRAZOL3ONE
(E)4(((4fluorophenyl)amino)methylene)3methyl1phenyl1Hpyrazol5(4H)one
CC1=NN(C(=O)C1=CNC2=CC=C(C=C2)F)C3=CC=CC=C3
Fc1ccc(cc1)NC=C1C(=NN(C1=O)c1ccccc1)C
InChI=1SC17H14FN3Oc11216(1119149713(18)81014)17(22)21(2012)155324615h21119H1H3b1611+
MFCD02632801
ZINC000100496269
ZINC100496269

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Available files

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