Vitas-M small molecule compound

methyl 6-tert-butyl-2-{[(4-methylphenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STK421512
SMILES COC(=O)c1c(NC(=O)c2ccc(cc2)C)sc2c1CCC(C2)C(C)(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 C22H27NO3S MW 385.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27NO3S/c1-13-6-8-14(9-7-13)19(24)23-20-18(21(25)26-5)16-11-10-15(22(2,3)4)12-17(16)27-20/h6-9,15H,10-12H2,1-5H3,(H,23,24)
InChIKey
SZADYSWNTQICSH-UHFFFAOYSA-N
Synonyms

CC1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)OC
InChI=1SC22H27NO3Sc1136814(9713)19(24)232018(21(25)265)16111015(22(23)4)1217(16)2720h6915H1012H215H3(H2324)
methyl6tertbutyl2(((4methylphenyl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl6tertbutyl2((4methylbenzoyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD01339736
ZINC000001948536
ZINC000001948538

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Available files

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