Vitas-M small molecule compound
(E)-{2-(3-bromophenyl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(furan-2-yl)methanolate
Catalog ID
STL147427
SMILES Brc1cccc(c1)C1N(CCCn2c[nH+]cc2)C(=O)C(=O)/C/1=C(\c1ccco1)/[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 C21H18BrN3O4 MW 456.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18BrN3O4/c22-15-5-1-4-14(12-15)18-17(19(26)16-6-2-11-29-16)20(27)21(28)25(18)9-3-8-24-10-7-23-13-24/h1-2,4-7,10-13,18,26H,3,8-9H2/b19-17+InChIKey
NCAKETLXUASTAZ-HTXNQAPBSA-NSynonyms
(E)(2(3bromophenyl)1(3(1Himidazol3ium1yl)propyl)45dioxopyrrolidin3ylidene)(furan2yl)methanolate
Brc1cccc(c1)C1N(CCCn2c(nH+)cc2)C(=O)C(=O)C1=C(c1ccco1)(O)
MFCD20755198
ZINC000101101151
ZINC000101101153
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