Vitas-M small molecule compound
(E)-{2-(3,4-dimethoxyphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(7-methoxy-1-benzofuran-2-yl)methanolate
Catalog ID
STK562211
SMILES COc1ccc(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 C29H32N2O8 MW 536.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32N2O8/c1-35-20-9-8-18(16-22(20)37-3)25-24(26(32)23-17-19-6-4-7-21(36-2)28(19)39-23)27(33)29(34)31(25)11-5-10-30-12-14-38-15-13-30/h4,6-9,16-17,25,32H,5,10-15H2,1-3H3/b26-24+InChIKey
UAJKCPPWZGAEPN-SHHOIMCASA-NSynonyms
(E)(2(34dimethoxyphenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)(7methoxy1benzofuran2yl)methanolate
COc1ccc(cc1OC)C1C(=C(c2oc3c(c2)cccc3OC)(O))C(=O)C(=O)N1CCC(NH+)1CCOCC1
MFCD18243991
ZINC000102510570
ZINC000102510578
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