Vitas-M small molecule compound
(E)-1-benzofuran-2-yl{2-(2,3-dimethoxyphenyl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STK560786
SMILES COc1c(OC)cccc1C1N(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 C27H25N3O6 MW 487.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N3O6/c1-34-20-10-5-8-18(26(20)35-2)23-22(24(31)21-15-17-7-3-4-9-19(17)36-21)25(32)27(33)30(23)13-6-12-29-14-11-28-16-29/h3-5,7-11,14-16,23,31H,6,12-13H2,1-2H3/b24-22+InChIKey
BMFNKZPNUIHHNC-ZNTNEXAZSA-NSynonyms
(E)1benzofuran2yl(2(23dimethoxyphenyl)1(3(1Himidazol3ium1yl)propyl)45dioxopyrrolidin3ylidene)methanolate
COc1c(OC)cccc1C1N(CCCn2c(nH+)cc2)C(=O)C(=O)C1=C(c1cc2c(o1)cccc2)(O)
MFCD18243633
ZINC000102498920
ZINC000102498927
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