Vitas-M small molecule compound
(E)-{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxo-2-(4-propoxyphenyl)pyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Catalog ID
STL041497
SMILES CCCOc1ccc(cc1)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\[O-])/C(=O)C(=O)N1CCCn1cc[nH+]c1
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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 C29H31N3O5 MW 501.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N3O5/c1-3-15-36-23-8-5-20(6-9-23)26-25(27(33)21-7-10-24-22(17-21)16-19(2)37-24)28(34)29(35)32(26)13-4-12-31-14-11-30-18-31/h5-11,14,17-19,26,33H,3-4,12-13,15-16H2,1-2H3/b27-25+InChIKey
GJPBVECPFVQMLZ-IMVLJIQESA-NSynonyms
850828-31-8(4E)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)1(3IMIDAZOL1YLPROPYL)5(4PROPOXYPHENYL)PYRROLIDINE23DIONE
(E)(1(3(1Himidazol3ium1yl)propyl)45dioxo2(4propoxyphenyl)pyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
850828318
CCCOC1=CC=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)O)C(=O)C(=O)N2CCCN5C=CN=C5
CCCOc1ccc(cc1)C1C(=C(c2ccc3c(c2)CC(O3)C)(O))C(=O)C(=O)N1CCCn1cc(nH+)c1
InChI=1SC29H31N3O5c131536238520(6923)2625(27(33)217102422(1721)1619(2)3724)28(34)29(35)32(26)13412311411301831h5111417192633H3412131516H212H3b2725+
MFCD18248106
ZINC000102868158
ZINC000102868165
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