Vitas-M small molecule compound
(4E)-4-{3-[(2-chloro-5-fluoropyrimidin-4-yl)oxy]-4-methoxybenzylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK728038
SMILES COc1ccc(cc1Oc1nc(Cl)ncc1F)/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 C22H16ClFN4O3 MW 438.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16ClFN4O3/c1-13-16(21(29)28(27-13)15-6-4-3-5-7-15)10-14-8-9-18(30-2)19(11-14)31-20-17(24)12-25-22(23)26-20/h3-12H,1-2H3/b16-10+InChIKey
PHDMRXAOILLDQY-MHWRWJLKSA-NSynonyms
663182-54-5(4E)4((3(2CHLORO5FLUOROPYRIMIDIN4YL)OXY4METHOXYPHENYL)METHYLIDENE)5METHYL2PHENYLPYRAZOL3ONE
(4E)4(3((2chloro5fluoropyrimidin4yl)oxy)4methoxybenzylidene)5methyl2phenyl24dihydro3Hpyrazol3one
(E)4(3((2chloro5fluoropyrimidin4yl)oxy)4methoxybenzylidene)3methyl1phenyl1Hpyrazol5(4H)one
663182545
CC1=NN(C(=O)C1=CC2=CC(=C(C=C2)OC)OC3=NC(=NC=C3F)Cl)C4=CC=CC=C4
COc1ccc(cc1Oc1nc(Cl)ncc1F)C=C1C(=NN(C1=O)c1ccccc1)C
InChI=1SC22H16ClFN4O3c11316(21(29)28(2713)156435715)10148918(302)19(1114)312017(24)122522(23)2620h312H12H3b1610+
MFCD04376831
ZINC000100273225
ZINC100273225
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