Vitas-M small molecule compound
(E)-{1-[2-(dimethylammonio)ethyl]-2-(3-methoxy-4-propoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}(thiophen-2-yl)methanolate
Catalog ID
STK566476
SMILES CCCOc1ccc(cc1OC)C1/C(=C(/c2cccs2)\[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 C23H28N2O5S MW 444.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28N2O5S/c1-5-12-30-16-9-8-15(14-17(16)29-4)20-19(21(26)18-7-6-13-31-18)22(27)23(28)25(20)11-10-24(2)3/h6-9,13-14,20,26H,5,10-12H2,1-4H3/b21-19+InChIKey
ODBLUHZDBNWKBA-XUTLUUPISA-NSynonyms
(E)(1(2(dimethylammonio)ethyl)2(3methoxy4propoxyphenyl)45dioxopyrrolidin3ylidene)(thiophen2yl)methanolate
CCCOc1ccc(cc1OC)C1C(=C(c2cccs2)(O))C(=O)C(=O)N1CC(NH+)(C)C
MFCD18245034
ZINC000009045879
ZINC000009045882
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