Vitas-M small molecule compound

methyl 3-{[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl}-4-fluoro-1-benzothiophene-2-carboxylate

Catalog ID
STL095923
SMILES COC(=O)c1sc2c(c1S(=O)(=O)N1CCN(CC1)c1cccc(c1)Cl)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 C20H18ClFN2O4S2 MW 468.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18ClFN2O4S2/c1-28-20(25)18-19(17-15(22)6-3-7-16(17)29-18)30(26,27)24-10-8-23(9-11-24)14-5-2-4-13(21)12-14/h2-7,12H,8-11H2,1H3
InChIKey
VOMPDBCGXJNEIO-UHFFFAOYSA-N
Synonyms

COC(=O)C1=C(C2=C(C=CC=C2S1)F)S(=O)(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl
InChI=1SC20H18ClFN2O4S2c12820(25)1819(1715(22)63716(17)2918)30(2627)2410823(91124)1452413(21)1214h2712H811H21H3
methyl3((4(3chlorophenyl)piperazin1yl)sulfonyl)4fluoro1benzothiophene2carboxylate
methyl3(4(3chlorophenyl)piperazin1yl)sulfonyl4fluoro1benzothiophene2carboxylate
MFCD09248924
ZINC000012414325
ZINC12414325

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.