Vitas-M small molecule compound
(E)-1-benzofuran-2-yl{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-2-(4-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STL039444
SMILES COc1ccc(cc1)C1N(CCCn2c[nH+]cc2)C(=O)C(=O)/C/1=C(\c1cc2c(o1)cccc2)/[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 C26H23N3O5 MW 457.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23N3O5/c1-33-19-9-7-17(8-10-19)23-22(24(30)21-15-18-5-2-3-6-20(18)34-21)25(31)26(32)29(23)13-4-12-28-14-11-27-16-28/h2-3,5-11,14-16,23,30H,4,12-13H2,1H3/b24-22+InChIKey
AVIPUNMQIACTIL-ZNTNEXAZSA-NSynonyms
(E)1benzofuran2yl(1(3(1Himidazol3ium1yl)propyl)2(4methoxyphenyl)45dioxopyrrolidin3ylidene)methanolate
COc1ccc(cc1)C1N(CCCn2c(nH+)cc2)C(=O)C(=O)C1=C(c1cc2c(o1)cccc2)(O)
MFCD18247835
ZINC000102863358
ZINC000102863360
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