Vitas-M small molecule compound

ethyl 2-{[(4-bromophenyl)sulfonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STL170677
SMILES CCOC(=O)c1c(sc2c1CCC(C2)C)NS(=O)(=O)c1ccc(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 C18H20BrNO4S2 MW 458.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20BrNO4S2/c1-3-24-18(21)16-14-9-4-11(2)10-15(14)25-17(16)20-26(22,23)13-7-5-12(19)6-8-13/h5-8,11,20H,3-4,9-10H2,1-2H3
InChIKey
KOGBFNMPFOLZRS-UHFFFAOYSA-N
Synonyms
362473-06-1
362473061
CCOC(=O)C1=C(SC2=C1CCC(C2)C)NS(=O)(=O)C3=CC=C(C=C3)Br
ethyl2(((4bromophenyl)sulfonyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
ethyl2((4bromophenyl)sulfonylamino)6methyl4567tetrahydro1benzothiophene3carboxylate
InChI=1SC18H20BrNO4S2c132418(21)16149411(2)1015(14)2517(16)2026(2223)137512(19)6813h581120H34910H212H3
MFCD01337380
ZINC000000995047
ZINC000000995048

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Available files

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