Vitas-M small molecule compound

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

Catalog ID
STK451596
SMILES COC(=O)c1c(NC(=O)Cc2ccc(cc2)Br)sc2c1CCCC2

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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 C18H18BrNO3S MW 408.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18BrNO3S/c1-23-18(22)16-13-4-2-3-5-14(13)24-17(16)20-15(21)10-11-6-8-12(19)9-7-11/h6-9H,2-5,10H2,1H3,(H,20,21)
InChIKey
BCEWUGFTKYAIED-UHFFFAOYSA-N
Synonyms

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)CC3=CC=C(C=C3)Br
InChI=1SC18H18BrNO3Sc12318(22)1613423514(13)2417(16)2015(21)10116812(19)9711h69H2510H21H3(H2021)
methyl2(((4bromophenyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((2(4bromophenyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD03072726
ZINC000002764210
ZINC02764210
ZINC2764210

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Available files

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