Vitas-M small molecule compound

methyl 2-({N-[(4-chlorophenyl)sulfonyl]-N-(4-fluorobenzyl)glycyl}amino)benzoate

Catalog ID
STK160565
SMILES COC(=O)c1ccccc1NC(=O)CN(S(=O)(=O)c1ccc(cc1)Cl)Cc1ccc(cc1)F

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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 C23H20ClFN2O5S MW 490.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20ClFN2O5S/c1-32-23(29)20-4-2-3-5-21(20)26-22(28)15-27(14-16-6-10-18(25)11-7-16)33(30,31)19-12-8-17(24)9-13-19/h2-13H,14-15H2,1H3,(H,26,28)
InChIKey
WDCNKSRUCBEGGO-UHFFFAOYSA-N
Synonyms

COC(=O)C1=CC=CC=C1NC(=O)CN(CC2=CC=C(C=C2)F)S(=O)(=O)C3=CC=C(C=C3)Cl
InChI=1SC23H20ClFN2O5Sc13223(29)20423521(20)2622(28)1527(141661018(25)11716)33(3031)1912817(24)91319h213H1415H21H3(H2628)
METHYL2((2((4CHLOROPHENYL)SULFONYL((4FLUOROPHENYL)METHYL)AMINO)ACETYL)AMINO)BENZOATE
METHYL2((N((4CHLOROPHENYL)SULFONYL)N(4FLUOROBENZYL)GLYCYL)AMINO)BENZOATE
MFCD03715130
ZINC000001137129
ZINC01137129
ZINC1137129

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Available files

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