Vitas-M small molecule compound

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

Catalog ID
STK830645
SMILES CCOC(=O)c1c(NC(=O)c2ccc(o2)Br)sc2c1CC(C)CC2

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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 C17H18BrNO4S MW 412.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18BrNO4S/c1-3-22-17(21)14-10-8-9(2)4-6-12(10)24-16(14)19-15(20)11-5-7-13(18)23-11/h5,7,9H,3-4,6,8H2,1-2H3,(H,19,20)
InChIKey
HLVHGXYAZQTIOX-UHFFFAOYSA-N
Synonyms
312585-07-2
312585072
CCOC(=O)C1=C(SC2=C1CC(CC2)C)NC(=O)C3=CC=C(O3)Br
ethyl2(((5bromofuran2yl)carbonyl)amino)5methyl4567tetrahydro1benzothiophene3carboxylate
ethyl2((5bromofuran2carbonyl)amino)5methyl4567tetrahydro1benzothiophene3carboxylate
ethyl2(5bromofuran2carboxamido)5methyl4567tetrahydrobenzo(b)thiophene3carboxylate
ETHYLL)PIPERAZINE
InChI=1SC17H18BrNO4Sc132217(21)141089(2)4612(10)2416(14)1915(20)115713(18)2311h579H3468H212H3(H1920)
MFCD01817234
ZINC000000659358
ZINC000000659360

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Available files

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