Vitas-M small molecule compound
(E)-{2-(3,4-diethoxyphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(thiophen-2-yl)methanolate
Catalog ID
STL150578
SMILES CCOc1cc(ccc1OCC)C1/C(=C(/c2cccs2)\[O-])/C(=O)C(=O)N1CCC[NH+]1CCOCC1
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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 C26H32N2O6S MW 500.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H32N2O6S/c1-3-33-19-9-8-18(17-20(19)34-4-2)23-22(24(29)21-7-5-16-35-21)25(30)26(31)28(23)11-6-10-27-12-14-32-15-13-27/h5,7-9,16-17,23,29H,3-4,6,10-15H2,1-2H3/b24-22+InChIKey
XLUMZGAMLXGNEF-ZNTNEXAZSA-NSynonyms
(E)(2(34diethoxyphenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)(thiophen2yl)methanolate
CCOc1cc(ccc1OCC)C1C(=C(c2cccs2)(O))C(=O)C(=O)N1CCC(NH+)1CCOCC1
MFCD20755865
ZINC000009333948
ZINC000009333949
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