Vitas-M small molecule compound

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

Catalog ID
STL148961
SMILES COc1ccc(c(c1)C1/C(=C(/c2ccc(cc2)F)\[O-])/C(=O)C(=O)N1CCC[NH+](C)C)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 C24H27FN2O5 MW 442.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27FN2O5/c1-26(2)12-5-13-27-21(18-14-17(31-3)10-11-19(18)32-4)20(23(29)24(27)30)22(28)15-6-8-16(25)9-7-15/h6-11,14,21,28H,5,12-13H2,1-4H3/b22-20+
InChIKey
IWDNHFKRGIXOHM-LSDHQDQOSA-N
Synonyms
636990-92-6
(4E)5(25DIMETHOXYPHENYL)1(3(DIMETHYLAMINO)PROPYL)4((4FLUOROPHENYL)HYDROXYMETHYLIDENE)PYRROLIDINE23DIONE
(E)(2(25dimethoxyphenyl)1(3(dimethylammonio)propyl)45dioxopyrrolidin3ylidene)(4fluorophenyl)methanolate
(E)(2(25DIMETHOXYPHENYL)1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXOPYRROLIDIN3YLIDENE)(4FLUOROPHENYL)METHANOLATE
5(25DIMETHOXYPHENYL)1(3(DIMETHYLAMINO)PROPYL)4((4FLUOROPHENYL)CARBONYL)3HYDROXY3PYRROLIN2ONE
636990926
CN(C)CCCN1C(C(=C(C2=CC=C(C=C2)F)O)C(=O)C1=O)C3=C(C=CC(=C3)OC)OC
COc1ccc(c(c1)C1C(=C(c2ccc(cc2)F)(O))C(=O)C(=O)N1CCC(NH+)(C)C)OC
InChI=1SC24H27FN2O5c126(2)125132721(181417(313)101119(18)324)20(23(29)24(27)30)22(28)156816(25)9715h611142128H51213H214H3b2220+
MFCD20755510
ZINC000008838129
ZINC000008904492

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Available files

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