Vitas-M small molecule compound
(E)-{2-(4-ethoxyphenyl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}(7-methoxy-1-benzofuran-2-yl)methanolate
Catalog ID
STL149779
SMILES CCOc1ccc(cc1)C1/C(=C(/c2oc3c(c2)cccc3OC)\[O-])/C(=O)C(=O)N1CC[NH+]1CCOCC1
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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/c1-3-36-20-9-7-18(8-10-20)24-23(25(31)22-17-19-5-4-6-21(34-2)27(19)37-22)26(32)28(33)30(24)12-11-29-13-15-35-16-14-29/h4-10,17,24,31H,3,11-16H2,1-2H3/b25-23+InChIKey
UIVOIPWMYLPMEB-WJTDDFOZSA-NSynonyms
(E)(2(4ethoxyphenyl)1(2(morpholin4ium4yl)ethyl)45dioxopyrrolidin3ylidene)(7methoxy1benzofuran2yl)methanolate
CCOc1ccc(cc1)C1C(=C(c2oc3c(c2)cccc3OC)(O))C(=O)C(=O)N1CC(NH+)1CCOCC1
MFCD20755670
ZINC000008919910
ZINC000008919915
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