Vitas-M small molecule compound

butyl 5-{[(4-bromophenyl)sulfonyl]amino}-2,6-dimethyl-1-benzofuran-3-carboxylate

Catalog ID
STK229877
SMILES CCCCOC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1ccc(cc1)Br)c(c2)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 C21H22BrNO5S MW 480.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22BrNO5S/c1-4-5-10-27-21(24)20-14(3)28-19-11-13(2)18(12-17(19)20)23-29(25,26)16-8-6-15(22)7-9-16/h6-9,11-12,23H,4-5,10H2,1-3H3
InChIKey
RCLIWDMSCCJUBR-UHFFFAOYSA-N
Synonyms
848335-34-2
848335342
butyl5(((4bromophenyl)sulfonyl)amino)26dimethyl1benzofuran3carboxylate
BUTYL5((4BROMOPHENYL)SULFONYLAMINO)26DIMETHYL1BENZOFURAN3CARBOXYLATE
CCCCOC(=O)C1=C(OC2=CC(=C(C=C21)NS(=O)(=O)C3=CC=C(C=C3)Br)C)C
InChI=1SC21H22BrNO5Sc145102721(24)2014(3)28191113(2)18(1217(19)20)2329(2526)168615(22)7916h69111223H4510H213H3
MFCD07329946
ZINC000008870360
ZINC08870360
ZINC8870360

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Available files

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