Vitas-M small molecule compound
(E)-{1-[2-(diethylammonio)ethyl]-4,5-dioxo-2-(thiophen-2-yl)pyrrolidin-3-ylidene}(4-ethoxyphenyl)methanolate
Catalog ID
STK565872
SMILES CCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1cccs1)CC[NH+](CC)CC)/[O-]
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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 C23H28N2O4S MW 428.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28N2O4S/c1-4-24(5-2)13-14-25-20(18-8-7-15-30-18)19(22(27)23(25)28)21(26)16-9-11-17(12-10-16)29-6-3/h7-12,15,20,26H,4-6,13-14H2,1-3H3/b21-19+InChIKey
LQKMOLBBIOPLAP-XUTLUUPISA-NSynonyms
615278-96-1(4E)1(2DIETHYLAMINOETHYL)4((4ETHOXYPHENYL)HYDROXYMETHYLIDENE)5THIOPHEN2YLPYRROLIDINE23DIONE
(E)(1(2(diethylammonio)ethyl)45dioxo2(thiophen2yl)pyrrolidin3ylidene)(4ethoxyphenyl)methanolate
(E)(1(2(DIETHYLAZANIUMYL)ETHYL)45DIOXO2THIOPHEN2YLPYRROLIDIN3YLIDENE)(4ETHOXYPHENYL)METHANOLATE
1(2(DIETHYLAMINO)ETHYL)4((4ETHOXYPHENYL)CARBONYL)3HYDROXY5(2THIENYL)3PYRROLIN2ONE
615278961
CC(NH+)(CC)CCN1C(C(=C(C2=CC=C(C=C2)OCC)(O))C(=O)C1=O)C3=CC=CS3
CCOc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1cccs1)CC(NH+)(CC)CC)(O)
InChI=1SC23H28N2O4Sc1424(52)13142520(1887153018)19(22(27)23(25)28)21(26)1691117(121016)2963h712152026H461314H213H3b2119+
MFCD18244886
ZINC000008817455
ZINC000008817456
Check stock
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Check stock on Vitas-MAvailable files
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