Vitas-M small molecule compound
(E)-{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-2-(5-methylfuran-2-yl)-4,5-dioxopyrrolidin-3-ylidene}(4-propoxyphenyl)methanolate
Catalog ID
STK565180
SMILES CCCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(o1)C)CCCn1c[nH+]cc1)/[O-]
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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 C25H27N3O5 MW 449.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N3O5/c1-3-15-32-19-8-6-18(7-9-19)23(29)21-22(20-10-5-17(2)33-20)28(25(31)24(21)30)13-4-12-27-14-11-26-16-27/h5-11,14,16,22,29H,3-4,12-13,15H2,1-2H3/b23-21+InChIKey
XJQDQLROSDUFQM-XTQSDGFTSA-NSynonyms
(4E)4(HYDROXY(4PROPOXYPHENYL)METHYLIDENE)1(3IMIDAZOL1YLPROPYL)5(5METHYLFURAN2YL)PYRROLIDINE23DIONE
(E)(1(3(1Himidazol3ium1yl)propyl)2(5methylfuran2yl)45dioxopyrrolidin3ylidene)(4propoxyphenyl)methanolate
3HYDROXY1(3(1HIMIDAZOL1YL)PROPYL)5(5METHYL2FURYL)4(4PROPOXYBENZOYL)15DIHYDRO2HPYRROL2ONE
3HYDROXY1(3IMIDAZOLYLPROPYL)5(5METHYL(2FURYL))4((4PROPOXYPHENYL)CARBONYL)3PYRROLIN2ONE
CCCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CC=C(O4)C)O
CCCOc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccc(o1)C)CCCn1c(nH+)cc1)(O)
InChI=1SC25H27N3O5c131532198618(7919)23(29)2122(2010517(2)3320)28(25(31)24(21)30)13412271411261627h51114162229H34121315H212H3b2321+
MFCD18244709
ZINC000102533123
ZINC000102533129
Check stock
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Check stock on Vitas-MAvailable files
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