Vitas-M small molecule compound

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

Catalog ID
STK302362
SMILES COC(=O)c1c(NC(=O)c2ccc(cc2)OC(F)F)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 C23H27F2NO4S MW 451.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27F2NO4S/c1-5-23(2,3)14-8-11-16-17(12-14)31-20(18(16)21(28)29-4)26-19(27)13-6-9-15(10-7-13)30-22(24)25/h6-7,9-10,14,22H,5,8,11-12H2,1-4H3,(H,26,27)
InChIKey
PGZQTWQETGWCKF-UHFFFAOYSA-N
Synonyms
512823-41-5
512823415
CCC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC=C(C=C3)OC(F)F
InChI=1SC23H27F2NO4Sc1523(23)148111617(1214)3120(18(16)21(28)294)2619(27)136915(10713)3022(24)25h679101422H581112H214H3(H2627)
methyl2(((4(difluoromethoxy)phenyl)carbonyl)amino)6(2methylbutan2yl)4567tetrahydro1benzothiophene3carboxylate
methyl2((4(difluoromethoxy)benzoyl)amino)6(2methylbutan2yl)4567tetrahydro1benzothiophene3carboxylate
MFCD03468381
ZINC000002735396
ZINC000002735397

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Available files

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