Vitas-M small molecule compound

methyl 2-{[N-(4-fluorophenyl)-N-(methylsulfonyl)alanyl]amino}benzoate

Catalog ID
STL285333
SMILES COC(=O)c1ccccc1NC(=O)C(N(S(=O)(=O)C)c1ccc(cc1)F)C

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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 C18H19FN2O5S MW 394.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19FN2O5S/c1-12(21(27(3,24)25)14-10-8-13(19)9-11-14)17(22)20-16-7-5-4-6-15(16)18(23)26-2/h4-12H,1-3H3,(H,20,22)
InChIKey
FWLMUPYLFCBLIO-UHFFFAOYSA-N
Synonyms

CC(C(=O)NC1=CC=CC=C1C(=O)OC)N(C2=CC=C(C=C2)F)S(=O)(=O)C
InChI=1SC18H19FN2O5Sc112(21(27(324)25)1410813(19)91114)17(22)2016754615(16)18(23)262h412H13H3(H2022)
methyl2((N(4fluorophenyl)N(methylsulfonyl)alanyl)amino)benzoate
METHYL2(2(4FLUORONMETHYLSULFONYLANILINO)PROPANOYLAMINO)BENZOATE
MFCD07360114
ZINC000004840297
ZINC000004840298

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Available files

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