Vitas-M small molecule compound

(4Z)-4-(4-butoxy-3-methoxybenzylidene)-2-(4-chlorophenyl)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one

Catalog ID
STK219810
SMILES CCCCOc1ccc(cc1OC)/C=C/1\C(=O)N(N=C1C(F)(F)F)c1ccc(cc1)Cl

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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 C22H20ClF3N2O3 MW 452.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20ClF3N2O3/c1-3-4-11-31-18-10-5-14(13-19(18)30-2)12-17-20(22(24,25)26)27-28(21(17)29)16-8-6-15(23)7-9-16/h5-10,12-13H,3-4,11H2,1-2H3/b17-12-
InChIKey
YWOMFBSOKBTRJI-ATVHPVEESA-N
Synonyms

(4Z)4((4BUTOXY3METHOXYPHENYL)METHYLIDENE)2(4CHLOROPHENYL)5(TRIFLUOROMETHYL)PYRAZOL3ONE
(4Z)4(4BUTOXY3METHOXYBENZYLIDENE)2(4CHLOROPHENYL)5(TRIFLUOROMETHYL)24DIHYDRO3HPYRAZOL3ONE
CCCCOC1=C(C=C(C=C1)C=C2C(=NN(C2=O)C3=CC=C(C=C3)Cl)C(F)(F)F)OC
CCCCOc1ccc(cc1OC)C=C1C(=O)N(N=C1C(F)(F)F)c1ccc(cc1)Cl
InChI=1SC22H20ClF3N2O3c13411311810514(1319(18)302)121720(22(2425)26)2728(21(17)29)168615(23)7916h5101213H3411H212H3b1712
MFCD02908114
ZINC000010059832
ZINC10059832

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Available files

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