Vitas-M small molecule compound
(E)-(4-chlorophenyl){2-(4-ethoxy-3-methoxyphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STK561082
SMILES CCOc1ccc(cc1OC)C1/C(=C(/c2ccc(cc2)Cl)\[O-])/C(=O)C(=O)N1CCC[NH+]1CCOCC1
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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 C27H31ClN2O6 MW 515.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31ClN2O6/c1-3-36-21-10-7-19(17-22(21)34-2)24-23(25(31)18-5-8-20(28)9-6-18)26(32)27(33)30(24)12-4-11-29-13-15-35-16-14-29/h5-10,17,24,31H,3-4,11-16H2,1-2H3/b25-23+InChIKey
YBZBFCXISWTIGM-WJTDDFOZSA-NSynonyms
840476-92-8(4E)4((4CHLOROPHENYL)HYDROXYMETHYLIDENE)5(4ETHOXY3METHOXYPHENYL)1(3MORPHOLIN4YLPROPYL)PYRROLIDINE23DIONE
(E)(4chlorophenyl)(2(4ethoxy3methoxyphenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)methanolate
(E)(4CHLOROPHENYL)(2(4ETHOXY3METHOXYPHENYL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
840476928
CCOC1=C(C=C(C=C1)C2C(=C(C3=CC=C(C=C3)Cl)(O))C(=O)C(=O)N2CCC(NH+)4CCOCC4)OC
CCOc1ccc(cc1OC)C1C(=C(c2ccc(cc2)Cl)(O))C(=O)C(=O)N1CCC(NH+)1CCOCC1
InChI=1SC27H31ClN2O6c13362110719(1722(21)342)2423(25(31)185820(28)9618)26(32)27(33)30(24)1241129131535161429h510172431H341116H212H3b2523+
MFCD18243706
ZINC000102501510
ZINC000102501521
Check stock
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Check stock on Vitas-MAvailable files
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