Vitas-M small molecule compound

2-amino-6-tert-butyl-N-(2-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Catalog ID
STK448955
SMILES COc1ccccc1NC(=O)c1c(N)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 C20H26N2O2S MW 358.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H26N2O2S/c1-20(2,3)12-9-10-13-16(11-12)25-18(21)17(13)19(23)22-14-7-5-6-8-15(14)24-4/h5-8,12H,9-11,21H2,1-4H3,(H,22,23)
InChIKey
MRGLRACKDOIYEM-UHFFFAOYSA-N
Synonyms
725705-47-5
2amino6tertbutylN(2methoxyphenyl)4567tetrahydro1benzothiophene3carboxamide
725705475
CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)NC3=CC=CC=C3OC)N
InChI=1SC20H26N2O2Sc120(23)129101316(1112)2518(21)17(13)19(23)2214756815(14)244h5812H91121H214H3(H2223)
MFCD03422620
ZINC000002558466
ZINC000005902173

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Available files

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