Vitas-M small molecule compound
(E)-{2-(2,4-dimethoxyphenyl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}(phenyl)methanolate
Catalog ID
STK565829
SMILES COc1ccc(c(c1)OC)C1/C(=C(/c2ccccc2)\[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 C25H28N2O6 MW 452.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N2O6/c1-31-18-8-9-19(20(16-18)32-2)22-21(23(28)17-6-4-3-5-7-17)24(29)25(30)27(22)11-10-26-12-14-33-15-13-26/h3-9,16,22,28H,10-15H2,1-2H3/b23-21+InChIKey
ZVFAYSNKVOUUCM-XTQSDGFTSA-NSynonyms
(4E)5(24DIMETHOXYPHENYL)4(HYDROXY(PHENYL)METHYLIDENE)1(2MORPHOLIN4YLETHYL)PYRROLIDINE23DIONE
(E)(2(24dimethoxyphenyl)1(2(morpholin4ium4yl)ethyl)45dioxopyrrolidin3ylidene)(phenyl)methanolate
(E)(2(24DIMETHOXYPHENYL)1(2MORPHOLIN4IUM4YLETHYL)45DIOXOPYRROLIDIN3YLIDENE)PHENYLMETHANOLATE
COC1=CC(=C(C=C1)C2C(=C(C3=CC=CC=C3)O)C(=O)C(=O)N2CCN4CCOCC4)OC
COc1ccc(c(c1)OC)C1C(=C(c2ccccc2)(O))C(=O)C(=O)N1CC(NH+)1CCOCC1
InChI=1SC25H28N2O6c131188919(20(1618)322)2221(23(28)176435717)24(29)25(30)27(22)111026121433151326h39162228H1015H212H3b2321+
MFCD18244878
ZINC000102537686
ZINC000102537692
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