Vitas-M small molecule compound
(E)-(4-chlorophenyl){2-(4-ethoxy-3-methoxyphenyl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STK562272
SMILES CCOc1ccc(cc1OC)C1/C(=C(/c2ccc(cc2)Cl)\[O-])/C(=O)C(=O)N1CC[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 C26H29ClN2O6 MW 500.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29ClN2O6/c1-3-35-20-9-6-18(16-21(20)33-2)23-22(24(30)17-4-7-19(27)8-5-17)25(31)26(32)29(23)11-10-28-12-14-34-15-13-28/h4-9,16,23,30H,3,10-15H2,1-2H3/b24-22+InChIKey
OQHZRTVMPACQOA-ZNTNEXAZSA-NSynonyms
636990-53-9(4E)4((4CHLOROPHENYL)HYDROXYMETHYLIDENE)5(4ETHOXY3METHOXYPHENYL)1(2MORPHOLIN4YLETHYL)PYRROLIDINE23DIONE
(E)(4chlorophenyl)(2(4ethoxy3methoxyphenyl)1(2(morpholin4ium4yl)ethyl)45dioxopyrrolidin3ylidene)methanolate
(E)(4CHLOROPHENYL)(2(4ETHOXY3METHOXYPHENYL)1(2MORPHOLIN4IUM4YLETHYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
4((4CHLOROPHENYL)CARBONYL)5(4ETHOXY3METHOXYPHENYL)3HYDROXY1(2MORPHOLIN4YLETHYL)3PYRROLIN2ONE
636990539
CCOC1=C(C=C(C=C1)C2C(=C(C3=CC=C(C=C3)Cl)(O))C(=O)C(=O)N2CC(NH+)4CCOCC4)OC
CCOc1ccc(cc1OC)C1C(=C(c2ccc(cc2)Cl)(O))C(=O)C(=O)N1CC(NH+)1CCOCC1
InChI=1SC26H29ClN2O6c1335209618(1621(20)332)2322(24(30)174719(27)8517)25(31)26(32)29(23)111028121434151328h49162330H31015H212H3b2422+
MFCD18244012
ZINC000009179119
ZINC000009179120
Check stock
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Check stock on Vitas-MAvailable files
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