Vitas-M small molecule compound
(4Z)-4-{3-chloro-4-[2-(2,6-dimethylphenoxy)ethoxy]-5-ethoxybenzylidene}-1-phenylpyrazolidine-3,5-dione
Catalog ID
STK035225
SMILES CCOc1cc(/C=C\2/C(=O)NN(C2=O)c2ccccc2)cc(c1OCCOc1c(C)cccc1C)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/c1-4-34-24-17-20(15-22-27(32)30-31(28(22)33)21-11-6-5-7-12-21)16-23(29)26(24)36-14-13-35-25-18(2)9-8-10-19(25)3/h5-12,15-17H,4,13-14H2,1-3H3,(H,30,32)/b22-15-InChIKey
NYYYVEMEXCWWOD-JCMHNJIXSA-NSynonyms
(4Z)4((3chloro4(2(26dimethylphenoxy)ethoxy)5ethoxyphenyl)methylidene)1phenylpyrazolidine35dione
(4Z)4(3CHLORO4(2(26DIMETHYLPHENOXY)ETHOXY)5ETHOXYBENZYLIDENE)1PHENYLPYRAZOLIDINE35DIONE
CCOC1=C(C(=CC(=C1)C=C2C(=O)NN(C2=O)C3=CC=CC=C3)Cl)OCCOC4=C(C=CC=C4C)C
CCOc1cc(C=C2C(=O)NN(C2=O)c2ccccc2)cc(c1OCCOc1c(C)cccc1C)Cl
InChI=1SC28H27ClN2O5c1434241720(152227(32)3031(28(22)33)21116571221)1623(29)26(24)361413352518(2)981019(25)3h5121517H41314H213H3(H3032)b2215
MFCD03184268
STK035225
ZINC000013941961
ZINC13941961
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