Vitas-M small molecule compound
methyl 3-{[4-(4-acetylphenyl)piperazin-1-yl]sulfonyl}-4-fluoro-1-benzothiophene-2-carboxylate
Catalog ID
STL095929
SMILES COC(=O)c1sc2c(c1S(=O)(=O)N1CCN(CC1)c1ccc(cc1)C(=O)C)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 C22H21FN2O5S2 MW 476.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21FN2O5S2/c1-14(26)15-6-8-16(9-7-15)24-10-12-25(13-11-24)32(28,29)21-19-17(23)4-3-5-18(19)31-20(21)22(27)30-2/h3-9H,10-13H2,1-2H3InChIKey
YNYLBBOBRDPWDR-UHFFFAOYSA-NSynonyms
941893-11-4941893114
CC(=O)C1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=C(SC4=CC=CC(=C43)F)C(=O)OC
InChI=1SC22H21FN2O5S2c114(26)156816(9715)24101225(131124)32(2829)211917(23)43518(19)3120(21)22(27)302h39H1013H212H3
methyl3((4(4acetylphenyl)piperazin1yl)sulfonyl)4fluoro1benzothiophene2carboxylate
METHYL3((4(4ACETYLPHENYL)PIPERAZIN1YL)SULFONYL)4FLUOROBENZO(B)THIOPHENE2CARBOXYLATE
methyl3(4(4acetylphenyl)piperazin1yl)sulfonyl4fluoro1benzothiophene2carboxylate
MFCD09248930
ZINC000012414329
ZINC12414329
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