Vitas-M small molecule compound

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

Catalog ID
STK419434
SMILES COc1cccc(c1C(=O)Nc1sc2c(c1C(=O)N)CCC(C2)C(C)(C)C)OC

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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 C22H28N2O4S MW 416.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28N2O4S/c1-22(2,3)12-9-10-13-16(11-12)29-21(17(13)19(23)25)24-20(26)18-14(27-4)7-6-8-15(18)28-5/h6-8,12H,9-11H2,1-5H3,(H2,23,25)(H,24,26)
InChIKey
IWYDCDKCCLQKBU-UHFFFAOYSA-N
Synonyms
389078-90-4
389078904
6tertbutyl2(((26dimethoxyphenyl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxamide
6tertbutyl2((26dimethoxybenzoyl)amino)4567tetrahydro1benzothiophene3carboxamide
CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=C(C=CC=C3OC)OC
InChI=1SC22H28N2O4Sc122(23)129101316(1112)2921(17(13)19(23)25)2420(26)1814(274)76815(18)285h6812H911H215H3(H22325)(H2426)
MFCD01351879
ZINC000000996936
ZINC000000996937

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Available files

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