Vitas-M small molecule compound
(E)-[2-(4-bromophenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene](2,4-dimethyl-1,3-thiazol-5-yl)methanolate
Catalog ID
STK561750
SMILES Brc1ccc(cc1)C1N(Cc2ccc[nH+]c2)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 C22H18BrN3O3S MW 484.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18BrN3O3S/c1-12-21(30-13(2)25-12)19(27)17-18(15-5-7-16(23)8-6-15)26(22(29)20(17)28)11-14-4-3-9-24-10-14/h3-10,18,27H,11H2,1-2H3/b19-17+InChIKey
STFAPHWZLXFTQU-HTXNQAPBSA-NSynonyms
(E)(2(4bromophenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)(24dimethyl13thiazol5yl)methanolate
Brc1ccc(cc1)C1N(Cc2ccc(nH+)c2)C(=O)C(=O)C1=C(c1sc(nc1C)C)(O)
MFCD18243877
ZINC000101072468
ZINC000101072469
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