Vitas-M small molecule compound

(E)-{2-(2,5-dimethoxyphenyl)-1-[3-(dimethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}[4-(2-methylpropoxy)phenyl]methanolate

Catalog ID
STL049008
SMILES COc1ccc(cc1C1N(CCC[NH+](C)C)C(=O)C(=O)/C/1=C(\c1ccc(cc1)OCC(C)C)/[O-])OC

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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 C28H36N2O6 MW 496.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H36N2O6/c1-18(2)17-36-20-10-8-19(9-11-20)26(31)24-25(22-16-21(34-5)12-13-23(22)35-6)30(28(33)27(24)32)15-7-14-29(3)4/h8-13,16,18,25,31H,7,14-15,17H2,1-6H3/b26-24+
InChIKey
UCVSQLWUZUWZIB-SHHOIMCASA-N
Synonyms
847378-07-8
(4E)5(25DIMETHOXYPHENYL)1(3(DIMETHYLAMINO)PROPYL)4(HYDROXY(4(2METHYLPROPOXY)PHENYL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(2(25dimethoxyphenyl)1(3(dimethylammonio)propyl)45dioxopyrrolidin3ylidene)(4(2methylpropoxy)phenyl)methanolate
(E)(2(25DIMETHOXYPHENYL)1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXOPYRROLIDIN3YLIDENE)(4(2METHYLPROPOXY)PHENYL)METHANOLATE
847378078
CC(C)COC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCC(NH+)(C)C)C3=C(C=CC(=C3)OC)OC)(O)
COc1ccc(cc1C1N(CCC(NH+)(C)C)C(=O)C(=O)C1=C(c1ccc(cc1)OCC(C)C)(O))OC
InChI=1SC28H36N2O6c118(2)17362010819(91120)26(31)2425(221621(345)121323(22)356)30(28(33)27(24)32)1571429(3)4h81316182531H7141517H216H3b2624+
MFCD18249239
ZINC000102884894
ZINC000102884897

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Available files

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