Vitas-M small molecule compound

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

Catalog ID
STK424344
SMILES COC(=O)c1c(NC(=O)c2ccc(cc2)OCC(C)C)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 C26H35NO4S MW 457.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H35NO4S/c1-7-26(4,5)18-10-13-20-21(14-18)32-24(22(20)25(29)30-6)27-23(28)17-8-11-19(12-9-17)31-15-16(2)3/h8-9,11-12,16,18H,7,10,13-15H2,1-6H3,(H,27,28)
InChIKey
VEJSDGIUJHYQMS-UHFFFAOYSA-N
Synonyms

CCC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC=C(C=C3)OCC(C)C
InChI=1SC26H35NO4Sc1726(45)1810132021(1418)3224(22(20)25(29)306)2723(28)1781119(12917)311516(2)3h8911121618H7101315H216H3(H2728)
methyl6(2methylbutan2yl)2(((4(2methylpropoxy)phenyl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl6(2methylbutan2yl)2((4(2methylpropoxy)benzoyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD01922168
ZINC000002752778
ZINC000002752779

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Available files

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