Vitas-M small molecule compound
(4Z)-4-{3-chloro-4-[2-(2,5-dimethylphenoxy)ethoxy]-5-ethoxybenzylidene}-1-phenylpyrazolidine-3,5-dione
Catalog ID
STK036346
SMILES CCOc1cc(/C=C\2/C(=O)NN(C2=O)c2ccccc2)cc(c1OCCOc1cc(C)ccc1C)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 C28H27ClN2O5 MW 506.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27ClN2O5/c1-4-34-25-17-20(15-22-27(32)30-31(28(22)33)21-8-6-5-7-9-21)16-23(29)26(25)36-13-12-35-24-14-18(2)10-11-19(24)3/h5-11,14-17H,4,12-13H2,1-3H3,(H,30,32)/b22-15-InChIKey
CBZFAGURPBJCSQ-JCMHNJIXSA-NSynonyms
(4Z)4((3chloro4(2(25dimethylphenoxy)ethoxy)5ethoxyphenyl)methylidene)1phenylpyrazolidine35dione
(4Z)4(3CHLORO4(2(25DIMETHYLPHENOXY)ETHOXY)5ETHOXYBENZYLIDENE)1PHENYLPYRAZOLIDINE35DIONE
CCOC1=C(C(=CC(=C1)C=C2C(=O)NN(C2=O)C3=CC=CC=C3)Cl)OCCOC4=C(C=CC(=C4)C)C
CCOc1cc(C=C2C(=O)NN(C2=O)c2ccccc2)cc(c1OCCOc1cc(C)ccc1C)Cl
InChI=1SC28H27ClN2O5c1434251720(152227(32)3031(28(22)33)218657921)1623(29)26(25)36131235241418(2)101119(24)3h5111417H41213H213H3(H3032)b2215
MFCD03184149
STK036346
ZINC000013942064
ZINC13942064
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