Vitas-M small molecule compound
(4E)-4-{3-chloro-5-ethoxy-4-[(4-fluorobenzyl)oxy]benzylidene}-1-phenylpyrazolidine-3,5-dione
Catalog ID
STK003127
SMILES CCOc1cc(/C=C/2\C(=O)NN(C2=O)c2ccccc2)cc(c1OCc1ccc(cc1)F)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 C25H20ClFN2O4 MW 466.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20ClFN2O4/c1-2-32-22-14-17(13-21(26)23(22)33-15-16-8-10-18(27)11-9-16)12-20-24(30)28-29(25(20)31)19-6-4-3-5-7-19/h3-14H,2,15H2,1H3,(H,28,30)/b20-12+InChIKey
KCXZOASRKXIEGF-UDWIEESQSA-NSynonyms
(4E)4((3CHLORO5ETHOXY4((4FLUOROPHENYL)METHOXY)PHENYL)METHYLIDENE)1PHENYLPYRAZOLIDINE35DIONE
(4E)4(3CHLORO5ETHOXY4((4FLUOROBENZYL)OXY)BENZYLIDENE)1PHENYLPYRAZOLIDINE35DIONE
CCOC1=C(C(=CC(=C1)C=C2C(=O)NN(C2=O)C3=CC=CC=C3)Cl)OCC4=CC=C(C=C4)F
CCOc1cc(C=C2C(=O)NN(C2=O)c2ccccc2)cc(c1OCc1ccc(cc1)F)Cl
InChI=1SC25H20ClFN2O4c1232221417(1321(26)23(22)33151681018(27)11916)122024(30)2829(25(20)31)196435719h314H215H21H3(H2830)b2012+
MFCD02121265
STK003127
ZINC000012285155
ZINC12285155
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