Vitas-M small molecule compound
(E)-[2-(2,4-dimethoxyphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene][4-(prop-2-en-1-yloxy)phenyl]methanolate
Catalog ID
STL049219
SMILES C=CCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1OC)OC)Cc1ccc[nH+]c1)/[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 C28H26N2O6 MW 486.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N2O6/c1-4-14-36-20-9-7-19(8-10-20)26(31)24-25(22-12-11-21(34-2)15-23(22)35-3)30(28(33)27(24)32)17-18-6-5-13-29-16-18/h4-13,15-16,25,31H,1,14,17H2,2-3H3/b26-24+InChIKey
KAWZYNLALQUREL-SHHOIMCASA-NSynonyms
847179-57-1(4E)5(24DIMETHOXYPHENYL)4(HYDROXY(4PROP2ENOXYPHENYL)METHYLIDENE)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(2(24DIMETHOXYPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)(4PROP2ENOXYPHENYL)METHANOLATE
(E)(2(24dimethoxyphenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)(4(prop2en1yloxy)phenyl)methanolate
847179571
C=CCOc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccc(cc1OC)OC)Cc1ccc(nH+)c1)(O)
COC1=CC(=C(C=C1)C2C(=C(C3=CC=C(C=C3)OCC=C)(O))C(=O)C(=O)N2CC4=C(NH+)=CC=C4)OC
InChI=1SC28H26N2O6c141436209719(81020)26(31)2425(22121121(342)1523(22)353)30(28(33)27(24)32)17186513291618h41315162531H11417H223H3b2624+
MFCD18249254
ZINC000101287700
ZINC000101287704
Check stock
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Check stock on Vitas-MAvailable files
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