Vitas-M small molecule compound

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

Catalog ID
STK429105
SMILES COC(=O)c1c(sc2c1CCC(C2)C(C)(C)C)NC(=O)c1ccccc1OC

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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 C22H27NO4S MW 401.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27NO4S/c1-22(2,3)13-10-11-15-17(12-13)28-20(18(15)21(25)27-5)23-19(24)14-8-6-7-9-16(14)26-4/h6-9,13H,10-12H2,1-5H3,(H,23,24)
InChIKey
IWCAIVZPALPMSQ-UHFFFAOYSA-N
Synonyms

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC=CC=C3OC
InChI=1SC22H27NO4Sc122(23)1310111517(1213)2820(18(15)21(25)275)2319(24)14867916(14)264h6913H1012H215H3(H2324)
methyl6tertbutyl2(((2methoxyphenyl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl6tertbutyl2((2methoxybenzoyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD01355434
ZINC000000997374
ZINC000000997375

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Available files

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