Vitas-M small molecule compound

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

Catalog ID
STK420797
SMILES COC(=O)c1c(NC(=O)c2ccc(cc2)Br)sc2c1CCC(C2)C(CC)(C)C

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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 C22H26BrNO3S MW 464.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26BrNO3S/c1-5-22(2,3)14-8-11-16-17(12-14)28-20(18(16)21(26)27-4)24-19(25)13-6-9-15(23)10-7-13/h6-7,9-10,14H,5,8,11-12H2,1-4H3,(H,24,25)
InChIKey
IMCAXQHVYKBMSS-UHFFFAOYSA-N
Synonyms
438467-06-2
438467062
CCC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC=C(C=C3)Br
InChI=1SC22H26BrNO3Sc1522(23)148111617(1214)2820(18(16)21(26)274)2419(25)136915(23)10713h6791014H581112H214H3(H2425)
methyl2(((4bromophenyl)carbonyl)amino)6(2methylbutan2yl)4567tetrahydro1benzothiophene3carboxylate
methyl2((4bromobenzoyl)amino)6(2methylbutan2yl)4567tetrahydro1benzothiophene3carboxylate
MFCD02242936
ZINC000002751502
ZINC000002751503

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Available files

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