Vitas-M small molecule compound
(E)-(7-methoxy-1-benzofuran-2-yl){1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-2-(3,4,5-trimethoxyphenyl)pyrrolidin-3-ylidene}methanolate
Catalog ID
STL147469
SMILES COc1c(OC)cc(cc1OC)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 C30H34N2O9 MW 566.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H34N2O9/c1-36-20-8-5-7-18-15-21(41-28(18)20)26(33)24-25(19-16-22(37-2)29(39-4)23(17-19)38-3)32(30(35)27(24)34)10-6-9-31-11-13-40-14-12-31/h5,7-8,15-17,25,33H,6,9-14H2,1-4H3/b26-24+InChIKey
NYOJQFIWRNRQDX-SHHOIMCASA-NSynonyms
(E)(7methoxy1benzofuran2yl)(1(3(morpholin4ium4yl)propyl)45dioxo2(345trimethoxyphenyl)pyrrolidin3ylidene)methanolate
COc1c(OC)cc(cc1OC)C1C(=C(c2oc3c(c2)cccc3OC)(O))C(=O)C(=O)N1CCC(NH+)1CCOCC1
MFCD20755203
ZINC000102925153
ZINC000102925157
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