Vitas-M small molecule compound
(4E)-5-[3-ethoxy-4-(prop-2-en-1-yloxy)phenyl]-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(2-methoxyethyl)pyrrolidine-2,3-dione
Catalog ID
STL040589
SMILES COCCN1C(=O)C(=O)/C(=C(\c2ccc3c(c2)CC(O3)C)/O)/C1c1ccc(c(c1)OCC)OCC=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 C28H31NO7 MW 493.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31NO7/c1-5-12-35-22-10-7-18(16-23(22)34-6-2)25-24(27(31)28(32)29(25)11-13-33-4)26(30)19-8-9-21-20(15-19)14-17(3)36-21/h5,7-10,15-17,25,30H,1,6,11-14H2,2-4H3/b26-24+InChIKey
PUCZBRZEJVFRKC-SHHOIMCASA-NSynonyms
850158-69-9(4E)5(3ethoxy4(prop2en1yloxy)phenyl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)1(2methoxyethyl)pyrrolidine23dione
(4E)5(3ETHOXY4PROP2ENOXYPHENYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)1(2METHOXYETHYL)PYRROLIDINE23DIONE
850158699
CCOC1=C(C=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)O)C(=O)C(=O)N2CCOC)OCC=C
COCCN1C(=O)C(=O)C(=C(c2ccc3c(c2)CC(O3)C)O)C1c1ccc(c(c1)OCC)OCC=C
InChI=1SC28H31NO7c1512352210718(1623(22)3462)2524(27(31)28(32)29(25)1113334)26(30)19892120(1519)1417(3)3621h571015172530H161114H224H3b2624+
MFCD05732636
ZINC000102866282
ZINC000102866293
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