Vitas-M small molecule compound
(E)-(4-chlorophenyl){2-(5-methylfuran-2-yl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STL038671
SMILES Clc1ccc(cc1)/C(=C\1/C(c2ccc(o2)C)N(C(=O)C1=O)CCC[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 C23H25ClN2O5 MW 444.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25ClN2O5/c1-15-3-8-18(31-15)20-19(21(27)16-4-6-17(24)7-5-16)22(28)23(29)26(20)10-2-9-25-11-13-30-14-12-25/h3-8,20,27H,2,9-14H2,1H3/b21-19+InChIKey
IZZWWXPQXDBEAG-XUTLUUPISA-NSynonyms
(4E)4((4CHLOROPHENYL)HYDROXYMETHYLIDENE)5(5METHYLFURAN2YL)1(3MORPHOLIN4YLPROPYL)PYRROLIDINE23DIONE
(E)(4chlorophenyl)(2(5methylfuran2yl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)methanolate
(E)(4CHLOROPHENYL)(2(5METHYLFURAN2YL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
CC1=CC=C(O1)C2C(=C(C3=CC=C(C=C3)Cl)O)C(=O)C(=O)N2CCCN4CCOCC4
Clc1ccc(cc1)C(=C1C(c2ccc(o2)C)N(C(=O)C1=O)CCC(NH+)1CCOCC1)(O)
InChI=1SC23H25ClN2O5c1153818(3115)2019(21(27)164617(24)7516)22(28)23(29)26(20)102925111330141225h382027H2914H21H3b2119+
MFCD18247683
ZINC000008817192
ZINC000008817193
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