Vitas-M small molecule compound
(E)-{2-(4-chlorophenyl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}(3,4-dimethoxyphenyl)methanolate
Catalog ID
STK561472
SMILES COc1cc(ccc1OC)/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 C25H27ClN2O6 MW 486.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27ClN2O6/c1-32-19-8-5-17(15-20(19)33-2)23(29)21-22(16-3-6-18(26)7-4-16)28(25(31)24(21)30)10-9-27-11-13-34-14-12-27/h3-8,15,22,29H,9-14H2,1-2H3/b23-21+InChIKey
MRBYJLVCGDEZFY-XTQSDGFTSA-NSynonyms
615270-32-1(4E)5(4CHLOROPHENYL)4((34DIMETHOXYPHENYL)HYDROXYMETHYLIDENE)1(2MORPHOLIN4YLETHYL)PYRROLIDINE23DIONE
(4Z)5(4CHLOROPHENYL)4((34DIMETHOXYPHENYL)HYDROXYMETHYLIDENE)1(2MORPHOLIN4YLETHYL)PYRROLIDINE23DIONE
(E)(2(4chlorophenyl)1(2(morpholin4ium4yl)ethyl)45dioxopyrrolidin3ylidene)(34dimethoxyphenyl)methanolate
(E)(2(4CHLOROPHENYL)1(2MORPHOLIN4IUM4YLETHYL)45DIOXOPYRROLIDIN3YLIDENE)(34DIMETHOXYPHENYL)METHANOLATE
4((34DIMETHOXYPHENYL)CARBONYL)5(4CHLOROPHENYL)3HYDROXY1(2MORPHOLIN4YLETHYL)3PYRROLIN2ONE
615270321
COC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CC(NH+)3CCOCC3)C4=CC=C(C=C4)Cl)(O))OC
COc1cc(ccc1OC)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)Cl)CC(NH+)1CCOCC1)(O)
InChI=1SC25H27ClN2O6c132198517(1520(19)332)23(29)2122(163618(26)7416)28(25(31)24(21)30)10927111334141227h38152229H914H212H3b2321+
MFCD18243798
ZINC000102504152
ZINC000102504159
Check stock
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Check stock on Vitas-MAvailable files
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