Vitas-M small molecule compound
(E)-{2-(4-butoxyphenyl)-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
STL051055
SMILES CCCCOc1ccc(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 C30H33N3O5 MW 515.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H33N3O5/c1-3-4-16-37-24-9-6-21(7-10-24)27-26(28(34)22-8-11-25-23(18-22)17-20(2)38-25)29(35)30(36)33(27)14-5-13-32-15-12-31-19-32/h6-12,15,18-20,27,34H,3-5,13-14,16-17H2,1-2H3/b28-26+InChIKey
LFHXSORTISLMLN-BYCLXTJYSA-NSynonyms
862194-14-7(4E)5(4BUTOXYPHENYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)1(3IMIDAZOL1YLPROPYL)PYRROLIDINE23DIONE
(E)(2(4butoxyphenyl)1(3(1Himidazol3ium1yl)propyl)45dioxopyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
862194147
CCCCOC1=CC=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)O)C(=O)C(=O)N2CCCN5C=CN=C5
CCCCOc1ccc(cc1)C1C(=C(c2ccc3c(c2)CC(O3)C)(O))C(=O)C(=O)N1CCCn1cc(nH+)c1
InChI=1SC30H33N3O5c1341637249621(71024)2726(28(34)228112523(1822)1720(2)3825)29(35)30(36)33(27)14513321512311932h6121518202734H3513141617H212H3b2826+
MFCD18249371
ZINC000102888307
ZINC000102888310
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