Vitas-M small molecule compound
(E)-{2-(4-tert-butylphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(thiophen-2-yl)methanolate
Catalog ID
STL148101
SMILES O=C1C(=O)/C(=C(\c2cccs2)/[O-])/C(N1CCC[NH+]1CCOCC1)c1ccc(cc1)C(C)(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 C26H32N2O4S MW 468.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H32N2O4S/c1-26(2,3)19-9-7-18(8-10-19)22-21(23(29)20-6-4-17-33-20)24(30)25(31)28(22)12-5-11-27-13-15-32-16-14-27/h4,6-10,17,22,29H,5,11-16H2,1-3H3/b23-21+InChIKey
AYCADELHPSCOGM-XTQSDGFTSA-NSynonyms
(E)(2(4tertbutylphenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)(thiophen2yl)methanolate
MFCD20755328
O=C1C(=O)C(=C(c2cccs2)(O))C(N1CCC(NH+)1CCOCC1)c1ccc(cc1)C(C)(C)C
ZINC000102926194
ZINC000102926196
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