Vitas-M small molecule compound
2-({[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}amino)-1,3-benzothiazole-6-carboxylic acid
Catalog ID
STK689180
SMILES O=C(Nc1nc2c(s1)cc(cc2)C(=O)O)CSc1nc(C)cc(n1)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 C16H14N4O3S2 MW 374.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14N4O3S2/c1-8-5-9(2)18-15(17-8)24-7-13(21)20-16-19-11-4-3-10(14(22)23)6-12(11)25-16/h3-6H,7H2,1-2H3,(H,22,23)(H,19,20,21)InChIKey
AQUKXYCJOBQQIL-UHFFFAOYSA-NSynonyms
2((((46dimethylpyrimidin2yl)sulfanyl)acetyl)amino)13benzothiazole6carboxylicacid
2((2(46DIMETHYLPYRIMIDIN2YL)SULFANYLACETYL)AMINO)13BENZOTHIAZOLE6CARBOXYLICACID
CC1=CC(=NC(=N1)SCC(=O)NC2=NC3=C(S2)C=C(C=C3)C(=O)O)C
InChI=1SC16H14N4O3S2c1859(2)1815(178)24713(21)201619114310(14(22)23)612(11)2516h36H7H212H3(H2223)(H192021)
MFCD07800713
ZINC000006667878
ZINC6667878
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