Vitas-M small molecule compound
methyl 3-{[3,5-dioxo-4-(2-phenylethyl)piperazin-1-yl]sulfonyl}-4-fluoro-1-benzothiophene-2-carboxylate
Catalog ID
STL095930
SMILES COC(=O)c1sc2c(c1S(=O)(=O)N1CC(=O)N(C(=O)C1)CCc1ccccc1)c(F)ccc2
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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 C22H19FN2O6S2 MW 490.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19FN2O6S2/c1-31-22(28)20-21(19-15(23)8-5-9-16(19)32-20)33(29,30)24-12-17(26)25(18(27)13-24)11-10-14-6-3-2-4-7-14/h2-9H,10-13H2,1H3InChIKey
UPLCYXCDTFORMT-UHFFFAOYSA-NSynonyms
COC(=O)C1=C(C2=C(C=CC=C2S1)F)S(=O)(=O)N3CC(=O)N(C(=O)C3)CCC4=CC=CC=C4
InChI=1SC22H19FN2O6S2c13122(28)2021(1915(23)85916(19)3220)33(2930)241217(26)25(18(27)1324)1110146324714h29H1013H21H3
methyl3((35dioxo4(2phenylethyl)piperazin1yl)sulfonyl)4fluoro1benzothiophene2carboxylate
methyl3(35dioxo4(2phenylethyl)piperazin1yl)sulfonyl4fluoro1benzothiophene2carboxylate
MFCD11994265
ZINC000015864539
ZINC15864539
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