Vitas-M small molecule compound
(E)-{2-(4-fluorophenyl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}(7-methoxy-1-benzofuran-2-yl)methanolate
Catalog ID
STL038141
SMILES COc1cccc2c1oc(c2)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)F)CC[NH+]1CCOCC1)/[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 C26H25FN2O6 MW 480.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25FN2O6/c1-33-19-4-2-3-17-15-20(35-25(17)19)23(30)21-22(16-5-7-18(27)8-6-16)29(26(32)24(21)31)10-9-28-11-13-34-14-12-28/h2-8,15,22,30H,9-14H2,1H3/b23-21+InChIKey
ZGWAIGMUUZVBNB-XTQSDGFTSA-NSynonyms
(E)(2(4fluorophenyl)1(2(morpholin4ium4yl)ethyl)45dioxopyrrolidin3ylidene)(7methoxy1benzofuran2yl)methanolate
COc1cccc2c1oc(c2)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)F)CC(NH+)1CCOCC1)(O)
MFCD18247566
ZINC000102860262
ZINC000102860263
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