Vitas-M small molecule compound

methyl 2-amino-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STK348687
SMILES COC(=O)c1c(N)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 C16H17NO2S MW 287.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17NO2S/c1-19-16(18)14-12-8-7-11(9-13(12)20-15(14)17)10-5-3-2-4-6-10/h2-6,11H,7-9,17H2,1H3
InChIKey
BVXJDKFMMQTUGI-UHFFFAOYSA-N
Synonyms
119004-72-7
119004727
COC(=O)C1=C(SC2=C1CCC(C2)C3=CC=CC=C3)N
InChI=1SC16H17NO2Sc11916(18)14128711(913(12)2015(14)17)105324610h2611H7917H21H3
methyl2amino6phenyl4567tetrahydro1benzothiophene3carboxylate
MFCD01922029
ZINC000000442790
ZINC000000442791

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Available files

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