Vitas-M small molecule compound
(E)-{1-[3-(diethylammonio)propyl]-4,5-dioxo-2-(thiophen-2-yl)pyrrolidin-3-ylidene}(phenyl)methanolate
Catalog ID
STK561631
SMILES CC[NH+](CCCN1C(c2cccs2)/C(=C(/c2ccccc2)\[O-])/C(=O)C1=O)CC
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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 C22H26N2O3S MW 398.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N2O3S/c1-3-23(4-2)13-9-14-24-19(17-12-8-15-28-17)18(21(26)22(24)27)20(25)16-10-6-5-7-11-16/h5-8,10-12,15,19,25H,3-4,9,13-14H2,1-2H3/b20-18+InChIKey
HVRYLXPZTPDALH-CZIZESTLSA-NSynonyms
(4E)1(3(DIETHYLAMINO)PROPYL)4(HYDROXY(PHENYL)METHYLIDENE)5THIOPHEN2YLPYRROLIDINE23DIONE
(4Z)1(3(DIETHYLAMINO)PROPYL)4(HYDROXY(PHENYL)METHYLIDENE)5THIOPHEN2YLPYRROLIDINE23DIONE
(E)(1(3(diethylammonio)propyl)45dioxo2(thiophen2yl)pyrrolidin3ylidene)(phenyl)methanolate
(E)(1(3(DIETHYLAZANIUMYL)PROPYL)45DIOXO2THIOPHEN2YLPYRROLIDIN3YLIDENE)PHENYLMETHANOLATE
1(3(DIETHYLAMINO)PROPYL)3HYDROXY4(PHENYLCARBONYL)5(2THIENYL)3PYRROLIN2ONE
CC(NH+)(CC)CCCN1C(C(=C(C2=CC=CC=C2)(O))C(=O)C1=O)C3=CC=CS3
CC(NH+)(CCCN1C(c2cccs2)C(=C(c2ccccc2)(O))C(=O)C1=O)CC
InChI=1SC22H26N2O3Sc1323(42)139142419(17128152817)18(21(26)22(24)27)20(25)16106571116h581012151925H3491314H212H3b2018+
MFCD18243847
ZINC000102505705
ZINC000102505712
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.