Vitas-M small molecule compound
(E)-{2-(4-chlorophenyl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}(4-methoxy-2-methylphenyl)methanolate
Catalog ID
STK561355
SMILES COc1ccc(c(c1)C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)Cl)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 C25H27ClN2O5 MW 470.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27ClN2O5/c1-16-15-19(32-2)7-8-20(16)23(29)21-22(17-3-5-18(26)6-4-17)28(25(31)24(21)30)10-9-27-11-13-33-14-12-27/h3-8,15,22,29H,9-14H2,1-2H3/b23-21+InChIKey
JATHTNZAYFCTST-XTQSDGFTSA-NSynonyms
489444-24-8(4E)5(4CHLOROPHENYL)4(HYDROXY(4METHOXY2METHYLPHENYL)METHYLIDENE)1(2MORPHOLIN4YLETHYL)PYRROLIDINE23DIONE
(E)(2(4chlorophenyl)1(2(morpholin4ium4yl)ethyl)45dioxopyrrolidin3ylidene)(4methoxy2methylphenyl)methanolate
(E)(2(4CHLOROPHENYL)1(2MORPHOLIN4IUM4YLETHYL)45DIOXOPYRROLIDIN3YLIDENE)(4METHOXY2METHYLPHENYL)METHANOLATE
489444248
CC1=C(C=CC(=C1)OC)C(=C2C(N(C(=O)C2=O)CC(NH+)3CCOCC3)C4=CC=C(C=C4)Cl)(O)
COc1ccc(c(c1)C)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)Cl)CC(NH+)1CCOCC1)(O)
InChI=1SC25H27ClN2O5c1161519(322)7820(16)23(29)2122(173518(26)6417)28(25(31)24(21)30)10927111333141227h38152229H914H212H3b2321+
MFCD18243770
ZINC000102503295
ZINC000102503306
Check stock
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Check stock on Vitas-MAvailable files
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