Vitas-M small molecule compound
(4E)-5-(3-butoxyphenyl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(3-methoxypropyl)pyrrolidine-2,3-dione
Catalog ID
STL047566
SMILES CCCCOc1cccc(c1)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\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 C28H33NO6 MW 479.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H33NO6/c1-4-5-14-34-22-9-6-8-19(17-22)25-24(27(31)28(32)29(25)12-7-13-33-3)26(30)20-10-11-23-21(16-20)15-18(2)35-23/h6,8-11,16-18,25,30H,4-5,7,12-15H2,1-3H3/b26-24+InChIKey
BKCHLSYGGQTVRH-SHHOIMCASA-NSynonyms
848686-46-4(4E)5(3butoxyphenyl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)1(3methoxypropyl)pyrrolidine23dione
848686464
CCCCOC1=CC=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)O)C(=O)C(=O)N2CCCOC
CCCCOc1cccc(c1)C1C(=C(c2ccc3c(c2)CC(O3)C)O)C(=O)C(=O)N1CCCOC
InChI=1SC28H33NO6c14514342296819(1722)2524(27(31)28(32)29(25)12713333)26(30)2010112321(1620)1518(2)3523h681116182530H4571215H213H3b2624+
MFCD04080992
ZINC000102882920
ZINC000102882924
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