Vitas-M small molecule compound
(E)-1-benzofuran-2-yl{2-(4-ethoxyphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STK561495
SMILES CCOc1ccc(cc1)C1N(CCC[NH+]2CCOCC2)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 C28H30N2O6 MW 490.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N2O6/c1-2-35-21-10-8-19(9-11-21)25-24(26(31)23-18-20-6-3-4-7-22(20)36-23)27(32)28(33)30(25)13-5-12-29-14-16-34-17-15-29/h3-4,6-11,18,25,31H,2,5,12-17H2,1H3/b26-24+InChIKey
XIKCJYXMXYMDNH-SHHOIMCASA-NSynonyms
(E)1benzofuran2yl(2(4ethoxyphenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)methanolate
CCOc1ccc(cc1)C1N(CCC(NH+)2CCOCC2)C(=O)C(=O)C1=C(c1cc2c(o1)cccc2)(O)
MFCD18243809
ZINC000009280121
ZINC000009280125
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