Vitas-M small molecule compound

methyl 4-fluoro-3-[(4-phenylpiperazin-1-yl)sulfonyl]-1-benzothiophene-2-carboxylate

Catalog ID
STL095919
SMILES COC(=O)c1sc2c(c1S(=O)(=O)N1CCN(CC1)c1ccccc1)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 C20H19FN2O4S2 MW 434.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19FN2O4S2/c1-27-20(24)18-19(17-15(21)8-5-9-16(17)28-18)29(25,26)23-12-10-22(11-13-23)14-6-3-2-4-7-14/h2-9H,10-13H2,1H3
InChIKey
LQSAPLPTSJIDPH-UHFFFAOYSA-N
Synonyms

COC(=O)C1=C(C2=C(C=CC=C2S1)F)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4
InChI=1SC20H19FN2O4S2c12720(24)1819(1715(21)85916(17)2818)29(2526)23121022(111323)146324714h29H1013H21H3
methyl4fluoro3((4phenylpiperazin1yl)sulfonyl)1benzothiophene2carboxylate
METHYL4FLUORO3((4PHENYLPIPERAZIN1YL)SULFONYL)BENZO(B)THIOPHENE2CARBOXYLATE
methyl4fluoro3(4phenylpiperazin1yl)sulfonyl1benzothiophene2carboxylate
MFCD08141314
ZINC000009646458
ZINC09646458
ZINC9646458

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Available files

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