Vitas-M small molecule compound

methyl 2-({[(4-bromobenzyl)sulfanyl]acetyl}amino)benzoate

Catalog ID
STK358161
SMILES COC(=O)c1ccccc1NC(=O)CSCc1ccc(cc1)Br

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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 C17H16BrNO3S MW 394.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16BrNO3S/c1-22-17(21)14-4-2-3-5-15(14)19-16(20)11-23-10-12-6-8-13(18)9-7-12/h2-9H,10-11H2,1H3,(H,19,20)
InChIKey
XLVWGXBTXINEIU-UHFFFAOYSA-N
Synonyms

COC(=O)C1=CC=CC=C1NC(=O)CSCC2=CC=C(C=C2)Br
InChI=1SC17H16BrNO3Sc12217(21)14423515(14)1916(20)112310126813(18)9712h29H1011H21H3(H1920)
METHYL2((((4BROMOBENZYL)SULFANYL)ACETYL)AMINO)BENZOATE
METHYL2((2((4BROMOPHENYL)METHYLSULFANYL)ACETYL)AMINO)BENZOATE
MFCD05996282
ZINC000001111249
ZINC01111249
ZINC1111249

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Available files

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