Vitas-M small molecule compound
(E)-{2-(2,3-dimethoxyphenyl)-1-[3-(dimethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}(pyridin-4-yl)methanolate
Catalog ID
STL150775
SMILES COc1cccc(c1OC)C1/C(=C(/c2ccncc2)\[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 C23H27N3O5 MW 425.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27N3O5/c1-25(2)13-6-14-26-19(16-7-5-8-17(30-3)22(16)31-4)18(21(28)23(26)29)20(27)15-9-11-24-12-10-15/h5,7-12,19,27H,6,13-14H2,1-4H3/b20-18+InChIKey
YLVGBXTXPQJODZ-CZIZESTLSA-NSynonyms
848221-77-2(4E)5(23DIMETHOXYPHENYL)1(3(DIMETHYLAMINO)PROPYL)4(HYDROXY(PYRIDIN4YL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(2(23dimethoxyphenyl)1(3(dimethylammonio)propyl)45dioxopyrrolidin3ylidene)(pyridin4yl)methanolate
(E)(2(23DIMETHOXYPHENYL)1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXOPYRROLIDIN3YLIDENE)PYRIDIN4YLMETHANOLATE
5(23DIMETHOXYPHENYL)1(3(DIMETHYLAMINO)PROPYL)3HYDROXY4(4PYRIDYLCARBONYL)3PYRROLIN2ONE
848221772
CN(C)CCCN1C(C(=C(C2=CC=NC=C2)O)C(=O)C1=O)C3=C(C(=CC=C3)OC)OC
COc1cccc(c1OC)C1C(=C(c2ccncc2)(O))C(=O)C(=O)N1CCC(NH+)(C)C
InChI=1SC23H27N3O5c125(2)136142619(1675817(303)22(16)314)18(21(28)23(26)29)20(27)1591124121015h57121927H61314H214H3b2018+
MFCD20755902
ZINC000006024773
ZINC000102931886
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.