Vitas-M small molecule compound
(4Z)-4-{4-[(4-chlorobenzyl)oxy]-3-ethoxy-5-(prop-2-en-1-yl)benzylidene}-1-phenylpyrazolidine-3,5-dione
Catalog ID
STK220192
SMILES CCOc1cc(/C=C\2/C(=O)NN(C2=O)c2ccccc2)cc(c1OCc1ccc(cc1)Cl)CC=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 C28H25ClN2O4 MW 488.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25ClN2O4/c1-3-8-21-15-20(16-24-27(32)30-31(28(24)33)23-9-6-5-7-10-23)17-25(34-4-2)26(21)35-18-19-11-13-22(29)14-12-19/h3,5-7,9-17H,1,4,8,18H2,2H3,(H,30,32)/b24-16-InChIKey
WNDBUULXWFQONW-JLPGSUDCSA-NSynonyms
(4Z)4((4((4chlorophenyl)methoxy)3ethoxy5prop2enylphenyl)methylidene)1phenylpyrazolidine35dione
(4Z)4(4((4chlorobenzyl)oxy)3ethoxy5(prop2en1yl)benzylidene)1phenylpyrazolidine35dione
CCOC1=CC(=CC(=C1OCC2=CC=C(C=C2)Cl)CC=C)C=C3C(=O)NN(C3=O)C4=CC=CC=C4
CCOc1cc(C=C2C(=O)NN(C2=O)c2ccccc2)cc(c1OCc1ccc(cc1)Cl)CC=C
InChI=1SC28H25ClN2O4c138211520(162427(32)3031(28(24)33)2396571023)1725(3442)26(21)351819111322(29)141219h357917H14818H22H3(H3032)b2416
MFCD08676777
ZINC000010060005
ZINC10060005
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