Vitas-M small molecule compound
(E)-(4-chlorophenyl){2-(2,3-dimethoxyphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STL047203
SMILES COc1c(OC)cccc1C1N(CCC[NH+]2CCOCC2)C(=O)C(=O)/C/1=C(\c1ccc(cc1)Cl)/[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 C26H29ClN2O6 MW 500.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29ClN2O6/c1-33-20-6-3-5-19(25(20)34-2)22-21(23(30)17-7-9-18(27)10-8-17)24(31)26(32)29(22)12-4-11-28-13-15-35-16-14-28/h3,5-10,22,30H,4,11-16H2,1-2H3/b23-21+InChIKey
NMFSXJINGGVEQR-XTQSDGFTSA-NSynonyms
371130-12-0(4E)4((4CHLOROPHENYL)HYDROXYMETHYLIDENE)5(23DIMETHOXYPHENYL)1(3MORPHOLIN4YLPROPYL)PYRROLIDINE23DIONE
(E)(4chlorophenyl)(2(23dimethoxyphenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)methanolate
(E)(4CHLOROPHENYL)(2(23DIMETHOXYPHENYL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
371130120
5(23DIMETHOXYPHENYL)4((4CHLOROPHENYL)CARBONYL)3HYDROXY1(3MORPHOLIN4YLPROPYL)3PYRROLIN2ONE
COC1=CC=CC(=C1OC)C2C(=C(C3=CC=C(C=C3)Cl)(O))C(=O)C(=O)N2CCC(NH+)4CCOCC4
COc1c(OC)cccc1C1N(CCC(NH+)2CCOCC2)C(=O)C(=O)C1=C(c1ccc(cc1)Cl)(O)
InChI=1SC26H29ClN2O6c1332063519(25(20)342)2221(23(30)177918(27)10817)24(31)26(32)29(22)1241128131535161428h35102230H41116H212H3b2321+
MFCD18249019
ZINC000009044599
ZINC000009044604
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