Vitas-M small molecule compound
(E)-{1-[2-(diethylammonio)ethyl]-2-(2-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}(7-methoxy-1-benzofuran-2-yl)methanolate
Catalog ID
STL044028
SMILES COc1ccccc1C1N(CC[NH+](CC)CC)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 C27H30N2O6 MW 478.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N2O6/c1-5-28(6-2)14-15-29-23(18-11-7-8-12-19(18)33-3)22(25(31)27(29)32)24(30)21-16-17-10-9-13-20(34-4)26(17)35-21/h7-13,16,23,30H,5-6,14-15H2,1-4H3/b24-22+InChIKey
MGEBDISFIRYDGY-ZNTNEXAZSA-NSynonyms
(E)(1(2(diethylammonio)ethyl)2(2methoxyphenyl)45dioxopyrrolidin3ylidene)(7methoxy1benzofuran2yl)methanolate
COc1ccccc1C1N(CC(NH+)(CC)CC)C(=O)C(=O)C1=C(c1cc2c(o1)c(OC)ccc2)(O)
MFCD18248335
ZINC000102873973
ZINC000102873974
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