Vitas-M small molecule compound
(E)-{1-[3-(dimethylammonio)propyl]-2-(3-fluorophenyl)-4,5-dioxopyrrolidin-3-ylidene}(2,4-dimethyl-1,3-thiazol-5-yl)methanolate
Catalog ID
STK560733
SMILES Fc1cccc(c1)C1N(CCC[NH+](C)C)C(=O)C(=O)/C/1=C(\c1sc(nc1C)C)/[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 C21H24FN3O3S MW 417.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24FN3O3S/c1-12-20(29-13(2)23-12)18(26)16-17(14-7-5-8-15(22)11-14)25(21(28)19(16)27)10-6-9-24(3)4/h5,7-8,11,17,26H,6,9-10H2,1-4H3/b18-16+InChIKey
SJKDVKDGXBUQBH-FBMGVBCBSA-NSynonyms
(E)(1(3(dimethylammonio)propyl)2(3fluorophenyl)45dioxopyrrolidin3ylidene)(24dimethyl13thiazol5yl)methanolate
Fc1cccc(c1)C1N(CCC(NH+)(C)C)C(=O)C(=O)C1=C(c1sc(nc1C)C)(O)
MFCD18243621
ZINC000102498533
ZINC000102498544
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