Vitas-M small molecule compound

ethyl 2-({[4-(azepan-1-ylsulfonyl)phenyl]carbonyl}amino)-4,5-dimethylthiophene-3-carboxylate

Catalog ID
STK806786
SMILES CCOC(=O)c1c(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCCCCC2)sc(c1C)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 C22H28N2O5S2 MW 464.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28N2O5S2/c1-4-29-22(26)19-15(2)16(3)30-21(19)23-20(25)17-9-11-18(12-10-17)31(27,28)24-13-7-5-6-8-14-24/h9-12H,4-8,13-14H2,1-3H3,(H,23,25)
InChIKey
VQWBIAKVIOPXHX-UHFFFAOYSA-N
Synonyms
326007-66-3
326007663
CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3
ethyl2(((4(azepan1ylsulfonyl)phenyl)carbonyl)amino)45dimethylthiophene3carboxylate
ETHYL2((4(AZAPERHYDROEPINYLSULFONYL)PHENYL)CARBONYLAMINO)45DIMETHYLTHIOPHENE3CARBOXYLATE
ethyl2((4(azepan1ylsulfonyl)benzoyl)amino)45dimethylthiophene3carboxylate
ETHYL2(4(AZEPAN1YLSULFONYL)BENZAMIDO)45DIMETHYLTHIOPHENE3CARBOXYLATE
InChI=1SC22H28N2O5S2c142922(26)1915(2)16(3)3021(19)2320(25)1791118(121017)31(2728)241375681424h912H481314H213H3(H2325)
MFCD02167736
ZINC000000968810
ZINC00968810
ZINC968810

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Available files

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