Vitas-M small molecule compound
ethyl 3-{[3,5-dioxo-4-(2-phenylethyl)piperazin-1-yl]sulfonyl}-1-benzothiophene-2-carboxylate
Catalog ID
STL095887
SMILES CCOC(=O)c1sc2c(c1S(=O)(=O)N1CC(=O)N(C(=O)C1)CCc1ccccc1)cccc2
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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 C23H22N2O6S2 MW 486.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N2O6S2/c1-2-31-23(28)21-22(17-10-6-7-11-18(17)32-21)33(29,30)24-14-19(26)25(20(27)15-24)13-12-16-8-4-3-5-9-16/h3-11H,2,12-15H2,1H3InChIKey
MEYKOGFFASVJMV-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(C2=CC=CC=C2S1)S(=O)(=O)N3CC(=O)N(C(=O)C3)CCC4=CC=CC=C4
ethyl3((35dioxo4(2phenylethyl)piperazin1yl)sulfonyl)1benzothiophene2carboxylate
ethyl3(35dioxo4(2phenylethyl)piperazin1yl)sulfonyl1benzothiophene2carboxylate
InChI=1SC23H22N2O6S2c123123(28)2122(1710671118(17)3221)33(2930)241419(26)25(20(27)1524)1312168435916h311H21215H21H3
MFCD09248908
ZINC000009320828
ZINC9320828
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