Vitas-M small molecule compound
(E)-(3-chloro-4-methoxyphenyl){2-(3-methoxyphenyl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STL039584
SMILES COc1cccc(c1)C1N(CC[NH+]2CCOCC2)C(=O)C(=O)/C/1=C(\c1ccc(c(c1)Cl)OC)/[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/c1-32-18-5-3-4-16(14-18)22-21(23(29)17-6-7-20(33-2)19(26)15-17)24(30)25(31)28(22)9-8-27-10-12-34-13-11-27/h3-7,14-15,22,29H,8-13H2,1-2H3/b23-21+InChIKey
DINJRNYYNKIYGX-XTQSDGFTSA-NSynonyms
636990-64-2(4E)4((3CHLORO4METHOXYPHENYL)HYDROXYMETHYLIDENE)5(3METHOXYPHENYL)1(2MORPHOLIN4YLETHYL)PYRROLIDINE23DIONE
(E)(3chloro4methoxyphenyl)(2(3methoxyphenyl)1(2(morpholin4ium4yl)ethyl)45dioxopyrrolidin3ylidene)methanolate
(E)(3CHLORO4METHOXYPHENYL)(2(3METHOXYPHENYL)1(2MORPHOLIN4IUM4YLETHYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
4((3CHLORO4METHOXYPHENYL)CARBONYL)3HYDROXY5(3METHOXYPHENYL)1(2MORPHOLIN4YLETHYL)3PYRROLIN2ONE
636990642
COC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CCN3CCOCC3)C4=CC(=CC=C4)OC)O)Cl
COc1cccc(c1)C1N(CC(NH+)2CCOCC2)C(=O)C(=O)C1=C(c1ccc(c(c1)Cl)OC)(O)
InChI=1SC25H27ClN2O6c1321853416(1418)2221(23(29)176720(332)19(26)1517)24(30)25(31)28(22)9827101234131127h3714152229H813H212H3b2321+
MFCD18247856
ZINC000008817158
ZINC000102863878
Check stock
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Check stock on Vitas-MAvailable files
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