Vitas-M small molecule compound
(4E)-4-({[2-(4-chlorophenyl)ethyl]amino}methylidene)-2-(4-fluorophenyl)-5-propyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK766872
SMILES CCCC1=NN(C(=O)/C/1=C/NCCc1ccc(cc1)Cl)c1ccc(cc1)F
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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 C21H21ClFN3O MW 385.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClFN3O/c1-2-3-20-19(14-24-13-12-15-4-6-16(22)7-5-15)21(27)26(25-20)18-10-8-17(23)9-11-18/h4-11,14,24H,2-3,12-13H2,1H3/b19-14+InChIKey
AMSKBYOIKZZYDS-XMHGGMMESA-NSynonyms
(4E)4(((2(4chlorophenyl)ethyl)amino)methylidene)2(4fluorophenyl)5propyl24dihydro3Hpyrazol3one
(4E)4((2(4CHLOROPHENYL)ETHYLAMINO)METHYLIDENE)2(4FLUOROPHENYL)5PROPYLPYRAZOL3ONE
CCCC1=NN(C(=O)C1=CNCCc1ccc(cc1)Cl)c1ccc(cc1)F
CCCC1=NN(C(=O)C1=CNCCC2=CC=C(C=C2)Cl)C3=CC=C(C=C3)F
InChI=1SC21H21ClFN3Oc1232019(14241312154616(22)7515)21(27)26(2520)1810817(23)91118h4111424H231213H21H3b1914+
MFCD03036368
ZINC000100111159
ZINC100111159
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