Vitas-M small molecule compound
(E)-{2-(2,3-dimethoxyphenyl)-1-[3-(dimethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}(4-methoxy-3-methylphenyl)methanolate
Catalog ID
STK625345
SMILES COc1cccc(c1OC)C1/C(=C(/c2ccc(c(c2)C)OC)\[O-])/C(=O)C(=O)N1CCC[NH+](C)C
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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 C26H32N2O6 MW 468.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H32N2O6/c1-16-15-17(11-12-19(16)32-4)23(29)21-22(18-9-7-10-20(33-5)25(18)34-6)28(26(31)24(21)30)14-8-13-27(2)3/h7,9-12,15,22,29H,8,13-14H2,1-6H3/b23-21+InChIKey
BAAHNVBZDMJWJW-XTQSDGFTSA-NSynonyms
(4E)5(23DIMETHOXYPHENYL)1(3(DIMETHYLAMINO)PROPYL)4(HYDROXY(4METHOXY3METHYLPHENYL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(2(23dimethoxyphenyl)1(3(dimethylammonio)propyl)45dioxopyrrolidin3ylidene)(4methoxy3methylphenyl)methanolate
(E)(2(23DIMETHOXYPHENYL)1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXOPYRROLIDIN3YLIDENE)(4METHOXY3METHYLPHENYL)METHANOLATE
CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CCC(NH+)(C)C)C3=C(C(=CC=C3)OC)OC)(O))OC
COc1cccc(c1OC)C1C(=C(c2ccc(c(c2)C)OC)(O))C(=O)C(=O)N1CCC(NH+)(C)C
InChI=1SC26H32N2O6c1161517(111219(16)324)23(29)2122(18971020(335)25(18)346)28(26(31)24(21)30)1481327(2)3h7912152229H81314H216H3b2321+
MFCD18246461
ZINC000102727159
ZINC000102727161
Check stock
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Check stock on Vitas-MAvailable files
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