Vitas-M small molecule compound
(4E)-4-{4-[(2-chloro-5-fluoropyrimidin-4-yl)oxy]-3-methoxybenzylidene}-5-hydroxy-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK046388
SMILES COc1cc(ccc1Oc1nc(Cl)ncc1F)/C=C/1\C(=NN(C1=O)c1ccccc1)O
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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 C21H14ClFN4O4 MW 440.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14ClFN4O4/c1-30-17-10-12(7-8-16(17)31-19-15(23)11-24-21(22)25-19)9-14-18(28)26-27(20(14)29)13-5-3-2-4-6-13/h2-11H,1H3,(H,26,28)/b14-9+InChIKey
RYCRRSDDWSXYID-NTEUORMPSA-NSynonyms
(4E)4((4(2CHLORO5FLUOROPYRIMIDIN4YL)OXY3METHOXYPHENYL)METHYLIDENE)1PHENYLPYRAZOLIDINE35DIONE
(4E)4(4((2CHLORO5FLUOROPYRIMIDIN4YL)OXY)3METHOXYBENZYLIDENE)5HYDROXY2PHENYL24DIHYDRO3HPYRAZOL3ONE
COC1=C(C=CC(=C1)C=C2C(=O)NN(C2=O)C3=CC=CC=C3)OC4=NC(=NC=C4F)Cl
COc1cc(ccc1Oc1nc(Cl)ncc1F)C=C1C(=NN(C1=O)c1ccccc1)O
InChI=1SC21H14ClFN4O4c130171012(7816(17)311915(23)112421(22)2519)91418(28)2627(20(14)29)135324613h211H1H3(H2628)b149+
MFCD04083317
STK046388
ZINC000013943072
ZINC13943072
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