Vitas-M small molecule compound
(E)-1-benzofuran-2-yl{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-2-(3-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STL040292
SMILES COc1cccc(c1)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/c1-33-19-8-4-7-18(14-19)23-22(24(30)21-15-17-6-2-3-9-20(17)34-21)25(31)26(32)29(23)12-5-11-28-13-10-27-16-28/h2-4,6-10,13-16,23,30H,5,11-12H2,1H3/b24-22+InChIKey
MZWIANJCJYBEII-ZNTNEXAZSA-NSynonyms
(E)1benzofuran2yl(1(3(1Himidazol3ium1yl)propyl)2(3methoxyphenyl)45dioxopyrrolidin3ylidene)methanolate
COc1cccc(c1)C1N(CCCn2c(nH+)cc2)C(=O)C(=O)C1=C(c1cc2c(o1)cccc2)(O)
MFCD18248003
ZINC000102865853
ZINC000102865857
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