Vitas-M small molecule compound
(E)-(7-methoxy-1-benzofuran-2-yl){2-(4-methoxyphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STL044425
SMILES COc1ccc(cc1)C1/C(=C(/c2oc3c(c2)cccc3OC)\[O-])/C(=O)C(=O)N1CCC[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/c1-34-20-9-7-18(8-10-20)24-23(25(31)22-17-19-5-3-6-21(35-2)27(19)37-22)26(32)28(33)30(24)12-4-11-29-13-15-36-16-14-29/h3,5-10,17,24,31H,4,11-16H2,1-2H3/b25-23+InChIKey
KEMOXFCRKIMBFX-WJTDDFOZSA-NSynonyms
(E)(7methoxy1benzofuran2yl)(2(4methoxyphenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)methanolate
COc1ccc(cc1)C1C(=C(c2oc3c(c2)cccc3OC)(O))C(=O)C(=O)N1CCC(NH+)1CCOCC1
MFCD18248414
ZINC000008900085
ZINC000008900094
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