Vitas-M small molecule compound

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

Catalog ID
STK422896
SMILES COC(=O)c1c(NC(=O)c2ccc(s2)Br)sc2c1CCC(C2)c1ccccc1

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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 C21H18BrNO3S2 MW 476.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18BrNO3S2/c1-26-21(25)18-14-8-7-13(12-5-3-2-4-6-12)11-16(14)28-20(18)23-19(24)15-9-10-17(22)27-15/h2-6,9-10,13H,7-8,11H2,1H3,(H,23,24)
InChIKey
CUDZREUIYOPZIJ-UHFFFAOYSA-N
Synonyms

COC(=O)C1=C(SC2=C1CCC(C2)C3=CC=CC=C3)NC(=O)C4=CC=C(S4)Br
InChI=1SC21H18BrNO3S2c12621(25)18148713(125324612)1116(14)2820(18)2319(24)1591017(22)2715h2691013H7811H21H3(H2324)
methyl2(((5bromothiophen2yl)carbonyl)amino)6phenyl4567tetrahydro1benzothiophene3carboxylate
methyl2((5bromothiophene2carbonyl)amino)6phenyl4567tetrahydro1benzothiophene3carboxylate
MFCD02176001
ZINC000002758419
ZINC000002758420

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Available files

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