Vitas-M small molecule compound

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

Catalog ID
STK412272
SMILES COc1cccc(c1)C(=O)Nc1sc2c(c1C(=O)N)CCC(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 C21H26N2O3S MW 386.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N2O3S/c1-21(2,3)13-8-9-15-16(11-13)27-20(17(15)18(22)24)23-19(25)12-6-5-7-14(10-12)26-4/h5-7,10,13H,8-9,11H2,1-4H3,(H2,22,24)(H,23,25)
InChIKey
GSNCVKZTSGJSJY-UHFFFAOYSA-N
Synonyms

6tertbutyl2(((3methoxyphenyl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxamide
6tertbutyl2((3methoxybenzoyl)amino)4567tetrahydro1benzothiophene3carboxamide
CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=CC=C3)OC
InChI=1SC21H26N2O3Sc121(23)13891516(1113)2720(17(15)18(22)24)2319(25)1265714(1012)264h571013H8911H214H3(H22224)(H2325)
MFCD01348892
ZINC000005383722
ZINC000005383766

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Available files

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