Vitas-M small molecule compound

diethyl 5-({[3-(azepan-1-ylsulfonyl)-4-chlorophenyl]carbonyl}amino)-3-methylthiophene-2,4-dicarboxylate

Catalog ID
STK807925
SMILES CCOC(=O)c1c(NC(=O)c2ccc(c(c2)S(=O)(=O)N2CCCCCC2)Cl)sc(c1C)C(=O)OCC

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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 C24H29ClN2O7S2 MW 557.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H29ClN2O7S2/c1-4-33-23(29)19-15(3)20(24(30)34-5-2)35-22(19)26-21(28)16-10-11-17(25)18(14-16)36(31,32)27-12-8-6-7-9-13-27/h10-11,14H,4-9,12-13H2,1-3H3,(H,26,28)
InChIKey
WKTZFHNYZFKFBG-UHFFFAOYSA-N
Synonyms
887863-59-4
887863594
CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3
diethyl5(((3(azepan1ylsulfonyl)4chlorophenyl)carbonyl)amino)3methylthiophene24dicarboxylate
diethyl5((3(azepan1ylsulfonyl)4chlorobenzoyl)amino)3methylthiophene24dicarboxylate
DIETHYL5(3(AZEPAN1YLSULFONYL)4CHLOROBENZAMIDO)3METHYLTHIOPHENE24DICARBOXYLATE
ETHYL2((3(AZAPERHYDROEPINYLSULFONYL)4CHLOROPHENYL)CARBONYLAMINO)5(ETHOXYCARBONYL)4METHYLTHIOPHENE3CARBOXYLATE
InChI=1SC24H29ClN2O7S2c143323(29)1915(3)20(24(30)3452)3522(19)2621(28)16101117(25)18(1416)36(3132)271286791327h101114H491213H213H3(H2628)
MFCD06751096
ZINC000097993288
ZINC97993288

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Available files

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