Vitas-M small molecule compound
(4E)-5-(4-butoxy-3-ethoxyphenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(3-methoxypropyl)pyrrolidine-2,3-dione
Catalog ID
STL042037
SMILES CCCCOc1ccc(cc1OCC)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1CCCOC
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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 C29H35NO8 MW 525.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H35NO8/c1-4-6-14-36-21-10-8-19(17-23(21)35-5-2)26-25(28(32)29(33)30(26)12-7-13-34-3)27(31)20-9-11-22-24(18-20)38-16-15-37-22/h8-11,17-18,26,31H,4-7,12-16H2,1-3H3/b27-25+InChIKey
NHYLVTBYAFSPBU-IMVLJIQESA-NSynonyms
575470-94-9(4E)5(4butoxy3ethoxyphenyl)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(3methoxypropyl)pyrrolidine23dione
575470949
CCCCOC1=C(C=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2CCCOC)OCC
CCCCOc1ccc(cc1OCC)C1C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C(=O)N1CCCOC
InChI=1SC29H35NO8c14614362110819(1723(21)3552)2625(28(32)29(33)30(26)12713343)27(31)209112224(1820)3816153722h81117182631H471216H213H3b2725+
MFCD05737674
ZINC000102868814
ZINC000102868816
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