Vitas-M small molecule compound

methyl 3-[(4'-carbamoyl-1,4'-bipiperidin-1'-yl)sulfonyl]-4-fluoro-1-benzothiophene-2-carboxylate

Catalog ID
STL095926
SMILES COC(=O)c1sc2c(c1S(=O)(=O)N1CCC(CC1)(C(=O)N)N1CCCCC1)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 C21H26FN3O5S2 MW 483.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26FN3O5S2/c1-30-19(26)17-18(16-14(22)6-5-7-15(16)31-17)32(28,29)25-12-8-21(9-13-25,20(23)27)24-10-3-2-4-11-24/h5-7H,2-4,8-13H2,1H3,(H2,23,27)
InChIKey
CADGYSVKARJBNT-UHFFFAOYSA-N
Synonyms
941893-09-0
941893090
COC(=O)C1=C(C2=C(C=CC=C2S1)F)S(=O)(=O)N3CCC(CC3)(C(=O)N)N4CCCCC4
InChI=1SC21H26FN3O5S2c13019(26)1718(1614(22)65715(16)3117)32(2829)2512821(9132520(23)27)24103241124h57H24813H21H3(H22327)
METHYL3((4(AMINOCARBONYL)14BIPIPERIDIN1YL)SULFONYL)4FLUORO1BENZOTHIOPHENE2CARBOXYLATE
METHYL3((4CARBAMOYL(14BIPIPERIDIN)1YL)SULFONYL)4FLUOROBENZO(B)THIOPHENE2CARBOXYLATE
methyl3((4carbamoyl14bipiperidin1yl)sulfonyl)4fluoro1benzothiophene2carboxylate
methyl3(4carbamoyl4piperidin1ylpiperidin1yl)sulfonyl4fluoro1benzothiophene2carboxylate
MFCD09248927
ZINC000012414327
ZINC12414327

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Available files

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