Vitas-M small molecule compound
(E)-{1-[2-(dimethylammonio)ethyl]-4,5-dioxo-2-(3,4,5-trimethoxyphenyl)pyrrolidin-3-ylidene}(7-methoxy-1-benzofuran-2-yl)methanolate
Catalog ID
STK559736
SMILES COc1cc(cc(c1OC)OC)C1N(CC[NH+](C)C)C(=O)C(=O)/C/1=C(\c1cc2c(o1)c(OC)ccc2)/[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 C27H30N2O8 MW 510.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N2O8/c1-28(2)10-11-29-22(16-13-19(34-4)26(36-6)20(14-16)35-5)21(24(31)27(29)32)23(30)18-12-15-8-7-9-17(33-3)25(15)37-18/h7-9,12-14,22,30H,10-11H2,1-6H3/b23-21+InChIKey
KJLYJQAYQGKWOF-XTQSDGFTSA-NSynonyms
(E)(1(2(dimethylammonio)ethyl)45dioxo2(345trimethoxyphenyl)pyrrolidin3ylidene)(7methoxy1benzofuran2yl)methanolate
COc1cc(cc(c1OC)OC)C1N(CC(NH+)(C)C)C(=O)C(=O)C1=C(c1cc2c(o1)c(OC)ccc2)(O)
MFCD18243353
ZINC000009302100
ZINC000009339556
Check stock
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Check stock on Vitas-MAvailable files
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