Vitas-M small molecule compound
(E)-(4-chlorophenyl){2-(2,5-dimethoxyphenyl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STL150283
SMILES COc1ccc(c(c1)C1/C(=C(/c2ccc(cc2)Cl)\[O-])/C(=O)C(=O)N1CC[NH+]1CCOCC1)OC
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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/c1-32-18-7-8-20(33-2)19(15-18)22-21(23(29)16-3-5-17(26)6-4-16)24(30)25(31)28(22)10-9-27-11-13-34-14-12-27/h3-8,15,22,29H,9-14H2,1-2H3/b23-21+InChIKey
XPXSMHCOMBKKBA-XTQSDGFTSA-NSynonyms
498536-34-8(4E)4((4CHLOROPHENYL)HYDROXYMETHYLIDENE)5(25DIMETHOXYPHENYL)1(2MORPHOLIN4YLETHYL)PYRROLIDINE23DIONE
(E)(4chlorophenyl)(2(25dimethoxyphenyl)1(2(morpholin4ium4yl)ethyl)45dioxopyrrolidin3ylidene)methanolate
(E)(4CHLOROPHENYL)(2(25DIMETHOXYPHENYL)1(2MORPHOLIN4IUM4YLETHYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
498536348
COC1=CC(=C(C=C1)OC)C2C(=C(C3=CC=C(C=C3)Cl)O)C(=O)C(=O)N2CCN4CCOCC4
COc1ccc(c(c1)C1C(=C(c2ccc(cc2)Cl)(O))C(=O)C(=O)N1CC(NH+)1CCOCC1)OC
InChI=1SC25H27ClN2O6c132187820(332)19(1518)2221(23(29)163517(26)6416)24(30)25(31)28(22)10927111334141227h38152229H914H212H3b2321+
MFCD20755791
ZINC000102931190
ZINC000102931191
Check stock
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Check stock on Vitas-MAvailable files
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