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-(3-methoxypropyl)pyrrolidine-2,3-dione
Catalog ID
STK565904
SMILES COCCCN1C(=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 C29H33NO7 MW 507.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33NO7/c1-5-13-36-23-11-8-19(17-24(23)35-6-2)26-25(28(32)29(33)30(26)12-7-14-34-4)27(31)20-9-10-22-21(16-20)15-18(3)37-22/h5,8-11,16-18,26,31H,1,6-7,12-15H2,2-4H3/b27-25+InChIKey
DZDNTOOPHGAGRR-IMVLJIQESA-NSynonyms
843671-57-8(4E)5(3ethoxy4(prop2en1yloxy)phenyl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)1(3methoxypropyl)pyrrolidine23dione
(4E)5(3ETHOXY4PROP2ENOXYPHENYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)1(3METHOXYPROPYL)PYRROLIDINE23DIONE
843671578
CCOC1=C(C=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)O)C(=O)C(=O)N2CCCOC)OCC=C
COCCCN1C(=O)C(=O)C(=C(c2ccc3c(c2)CC(O3)C)O)C1c1ccc(c(c1)OCC)OCC=C
InChI=1SC29H33NO7c1513362311819(1724(23)3562)2625(28(32)29(33)30(26)12714344)27(31)209102221(1620)1518(3)3722h581116182631H1671215H224H3b2725+
MFCD04074438
ZINC000102538073
ZINC000102649654
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