Vitas-M small molecule compound
(E)-1-benzofuran-2-yl{2-(2,3-dimethoxyphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STK563230
SMILES COc1c(OC)cccc1C1N(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 C28H30N2O7 MW 506.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N2O7/c1-34-21-10-5-8-19(27(21)35-2)24-23(25(31)22-17-18-7-3-4-9-20(18)37-22)26(32)28(33)30(24)12-6-11-29-13-15-36-16-14-29/h3-5,7-10,17,24,31H,6,11-16H2,1-2H3/b25-23+InChIKey
PJIPESFBOOQING-WJTDDFOZSA-NSynonyms
(E)1benzofuran2yl(2(23dimethoxyphenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)methanolate
COc1c(OC)cccc1C1N(CCC(NH+)2CCOCC2)C(=O)C(=O)C1=C(c1cc2c(o1)cccc2)(O)
MFCD18244245
ZINC000102518861
ZINC000102518874
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