Vitas-M small molecule compound
(E)-{2-[3-ethoxy-4-(pentyloxy)phenyl]-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Catalog ID
STL054875
SMILES CCCCCOc1ccc(cc1OCC)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 C33H39N3O6 MW 573.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H39N3O6/c1-4-6-7-17-41-27-12-9-23(20-28(27)40-5-2)30-29(31(37)24-10-11-26-25(19-24)18-22(3)42-26)32(38)33(39)36(30)15-8-14-35-16-13-34-21-35/h9-13,16,19-22,30,37H,4-8,14-15,17-18H2,1-3H3/b31-29+InChIKey
XRBQOEPPYRKIIV-OWWNRXNESA-NSynonyms
893696-88-3(4E)5(3ethoxy4pentoxyphenyl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)1(3imidazol1ylpropyl)pyrrolidine23dione
(E)(2(3ethoxy4(pentyloxy)phenyl)1(3(1Himidazol3ium1yl)propyl)45dioxopyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
893696883
CCCCCOC1=C(C=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)O)C(=O)C(=O)N2CCCN5C=CN=C5)OCC
CCCCCOc1ccc(cc1OCC)C1C(=C(c2ccc3c(c2)CC(O3)C)(O))C(=O)C(=O)N1CCCn1cc(nH+)c1
InChI=1SC33H39N3O6c146717412712923(2028(27)4052)3029(31(37)2410112625(1924)1822(3)4226)32(38)33(39)36(30)15814351613342135h9131619223037H4814151718H213H3b3129+
MFCD18249636
ZINC000102893487
ZINC000102893494
Check stock
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