Vitas-M small molecule compound

6-tert-butyl-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-[(thiophen-2-ylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Catalog ID
STK906287
SMILES O=C(c1c(sc2c1CCC(C2)C(C)(C)C)NC(=O)c1cccs1)NC1CCS(=O)(=O)C1

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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 C22H28N2O4S3 MW 480.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28N2O4S3/c1-22(2,3)13-6-7-15-17(11-13)30-21(24-19(25)16-5-4-9-29-16)18(15)20(26)23-14-8-10-31(27,28)12-14/h4-5,9,13-14H,6-8,10-12H2,1-3H3,(H,23,26)(H,24,25)
InChIKey
VBXSEMJNBAXXOE-UHFFFAOYSA-N
Synonyms
848746-32-7
6(tertbutyl)N(11dioxidotetrahydrothiophen3yl)2(thiophene2carboxamido)4567tetrahydrobenzo(b)thiophene3carboxamide
6tertbutylN(11dioxidotetrahydrothiophen3yl)2((thiophen2ylcarbonyl)amino)4567tetrahydro1benzothiophene3carboxamide
6tertbutylN(11dioxothiolan3yl)2(thiophene2carbonylamino)4567tetrahydro1benzothiophene3carboxamide
848746327
CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)NC3CCS(=O)(=O)C3)NC(=O)C4=CC=CS4
InChI=1SC22H28N2O4S3c122(23)13671517(1113)3021(2419(25)165492916)18(15)20(26)231481031(2728)1214h4591314H681012H213H3(H2326)(H2425)
MFCD04195813
ZINC000002434189
ZINC000013786909

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Available files

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