Vitas-M small molecule compound
(E)-{2-(3-bromophenyl)-1-[3-(diethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}(2,4-dimethyl-1,3-thiazol-5-yl)methanolate
Catalog ID
STL045553
SMILES CC[NH+](CCCN1C(c2cccc(c2)Br)/C(=C(/c2sc(nc2C)C)\[O-])/C(=O)C1=O)CC
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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 C23H28BrN3O3S MW 506.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28BrN3O3S/c1-5-26(6-2)11-8-12-27-19(16-9-7-10-17(24)13-16)18(21(29)23(27)30)20(28)22-14(3)25-15(4)31-22/h7,9-10,13,19,28H,5-6,8,11-12H2,1-4H3/b20-18+InChIKey
TWCRTXBREIAGOK-CZIZESTLSA-NSynonyms
(E)(2(3bromophenyl)1(3(diethylammonio)propyl)45dioxopyrrolidin3ylidene)(24dimethyl13thiazol5yl)methanolate
CC(NH+)(CCCN1C(c2cccc(c2)Br)C(=C(c2sc(nc2C)C)(O))C(=O)C1=O)CC
MFCD18248660
ZINC000008922751
ZINC000008922754
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