Vitas-M small molecule compound
(E)-{1-[3-(dimethylammonio)propyl]-2-(4-ethoxy-3-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}(thiophen-2-yl)methanolate
Catalog ID
STL040009
SMILES CCOc1ccc(cc1OC)C1/C(=C(/c2cccs2)\[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 C23H28N2O5S MW 444.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28N2O5S/c1-5-30-16-10-9-15(14-17(16)29-4)20-19(21(26)18-8-6-13-31-18)22(27)23(28)25(20)12-7-11-24(2)3/h6,8-10,13-14,20,26H,5,7,11-12H2,1-4H3/b21-19+InChIKey
KZQAXPGGOIUPRJ-XUTLUUPISA-NSynonyms
(E)(1(3(dimethylammonio)propyl)2(4ethoxy3methoxyphenyl)45dioxopyrrolidin3ylidene)(thiophen2yl)methanolate
CCOc1ccc(cc1OC)C1C(=C(c2cccs2)(O))C(=O)C(=O)N1CCC(NH+)(C)C
MFCD18247933
ZINC000009271263
ZINC000009271264
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