Vitas-M small molecule compound
(E)-{1-[2-(dimethylammonio)ethyl]-4,5-dioxo-2-(3-propoxyphenyl)pyrrolidin-3-ylidene}(4-methylphenyl)methanolate
Catalog ID
STL044265
SMILES CCCOc1cccc(c1)C1/C(=C(/c2ccc(cc2)C)\[O-])/C(=O)C(=O)N1CC[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 C25H30N2O4 MW 422.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N2O4/c1-5-15-31-20-8-6-7-19(16-20)22-21(23(28)18-11-9-17(2)10-12-18)24(29)25(30)27(22)14-13-26(3)4/h6-12,16,22,28H,5,13-15H2,1-4H3/b23-21+InChIKey
KNPPKYBYMYYRGQ-XTQSDGFTSA-NSynonyms
613220-50-1(4E)1(2DIMETHYLAMINOETHYL)4(HYDROXY(4METHYLPHENYL)METHYLIDENE)5(3PROPOXYPHENYL)PYRROLIDINE23DIONE
(E)(1(2(dimethylammonio)ethyl)45dioxo2(3propoxyphenyl)pyrrolidin3ylidene)(4methylphenyl)methanolate
(E)(1(2(DIMETHYLAZANIUMYL)ETHYL)45DIOXO2(3PROPOXYPHENYL)PYRROLIDIN3YLIDENE)(4METHYLPHENYL)METHANOLATE
1(2(DIMETHYLAMINO)ETHYL)3HYDROXY4((4METHYLPHENYL)CARBONYL)5(3PROPOXYPHENYL)3PYRROLIN2ONE
613220501
CCCOC1=CC=CC(=C1)C2C(=C(C3=CC=C(C=C3)C)(O))C(=O)C(=O)N2CC(NH+)(C)C
CCCOc1cccc(c1)C1C(=C(c2ccc(cc2)C)(O))C(=O)C(=O)N1CC(NH+)(C)C
InChI=1SC25H30N2O4c1515312086719(1620)2221(23(28)1811917(2)101218)24(29)25(30)27(22)141326(3)4h612162228H51315H214H3b2321+
MFCD18248385
ZINC000006419833
ZINC000102873607
Check stock
See real-time availability and sample size for STL044265 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.