Vitas-M small molecule compound
(E)-{1-[3-(dimethylammonio)propyl]-4,5-dioxo-2-(3-propoxyphenyl)pyrrolidin-3-ylidene}(4-ethoxyphenyl)methanolate
Catalog ID
STL149819
SMILES CCCOc1cccc(c1)C1/C(=C(/c2ccc(cc2)OCC)\[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 C27H34N2O5 MW 466.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H34N2O5/c1-5-17-34-22-10-7-9-20(18-22)24-23(25(30)19-11-13-21(14-12-19)33-6-2)26(31)27(32)29(24)16-8-15-28(3)4/h7,9-14,18,24,30H,5-6,8,15-17H2,1-4H3/b25-23+InChIKey
KXMJVMCZRPMKFF-WJTDDFOZSA-NSynonyms
620122-20-5(4E)1(3(DIMETHYLAMINO)PROPYL)4((4ETHOXYPHENYL)HYDROXYMETHYLIDENE)5(3PROPOXYPHENYL)PYRROLIDINE23DIONE
(E)(1(3(dimethylammonio)propyl)45dioxo2(3propoxyphenyl)pyrrolidin3ylidene)(4ethoxyphenyl)methanolate
(E)(1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXO2(3PROPOXYPHENYL)PYRROLIDIN3YLIDENE)(4ETHOXYPHENYL)METHANOLATE
1(3(DIMETHYLAMINO)PROPYL)4((4ETHOXYPHENYL)CARBONYL)3HYDROXY5(3PROPOXYPHENYL)3PYRROLIN2ONE
620122205
CCCOC1=CC=CC(=C1)C2C(=C(C3=CC=C(C=C3)OCC)(O))C(=O)C(=O)N2CCC(NH+)(C)C
CCCOc1cccc(c1)C1C(=C(c2ccc(cc2)OCC)(O))C(=O)C(=O)N1CCC(NH+)(C)C
InChI=1SC27H34N2O5c15173422107920(1822)2423(25(30)19111321(141219)3362)26(31)27(32)29(24)1681528(3)4h7914182430H5681517H214H3b2523+
MFCD20755681
ZINC000009041790
ZINC000009135595
Check stock
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Check stock on Vitas-MAvailable files
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