Vitas-M small molecule compound
(4E)-1-benzyl-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(4-ethoxyphenyl)pyrrolidine-2,3-dione
Catalog ID
STK568288
SMILES CCOc1ccc(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 C28H25NO6 MW 471.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25NO6/c1-2-33-21-11-8-19(9-12-21)25-24(26(30)20-10-13-22-23(16-20)35-15-14-34-22)27(31)28(32)29(25)17-18-6-4-3-5-7-18/h3-13,16,25,30H,2,14-15,17H2,1H3/b26-24+InChIKey
GIIVDLYACGQBNL-SHHOIMCASA-NSynonyms
(4E)1benzyl4(23dihydro14benzodioxin6yl(hydroxy)methylidene)5(4ethoxyphenyl)pyrrolidine23dione
CCOC1=CC=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2CC5=CC=CC=C5
CCOc1ccc(cc1)C1C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C(=O)N1Cc1ccccc1
InChI=1SC28H25NO6c12332111819(91221)2524(26(30)2010132223(1620)3515143422)27(31)28(32)29(25)17186435718h313162530H2141517H21H3b2624+
MFCD05728331
ZINC000102551488
ZINC000102551496
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