Vitas-M small molecule compound
(4E)-1-benzyl-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(4-ethylphenyl)pyrrolidine-2,3-dione
Catalog ID
STL051872
SMILES CCc1ccc(cc1)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1Cc1ccccc1
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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 C28H25NO5 MW 455.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25NO5/c1-2-18-8-10-20(11-9-18)25-24(26(30)21-12-13-22-23(16-21)34-15-14-33-22)27(31)28(32)29(25)17-19-6-4-3-5-7-19/h3-13,16,25,30H,2,14-15,17H2,1H3/b26-24+InChIKey
YSWDHMKQGKVUSG-SHHOIMCASA-NSynonyms
(4E)1benzyl4(23dihydro14benzodioxin6yl(hydroxy)methylidene)5(4ethylphenyl)pyrrolidine23dione
CCC1=CC=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2CC5=CC=CC=C5
CCc1ccc(cc1)C1C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C(=O)N1Cc1ccccc1
InChI=1SC28H25NO5c121881020(11918)2524(26(30)2112132223(1621)3415143322)27(31)28(32)29(25)17196435719h313162530H2141517H21H3b2624+
MFCD05738146
ZINC000102889251
ZINC000102889253
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