Vitas-M small molecule compound

ethyl 4-methyl-5-(phenylcarbamoyl)-2-({2,2,2-trichloro-1-[(furan-2-ylcarbonyl)amino]ethyl}amino)thiophene-3-carboxylate

Catalog ID
STK861940
SMILES CCOC(=O)c1c(NC(C(Cl)(Cl)Cl)NC(=O)c2ccco2)sc(c1C)C(=O)Nc1ccccc1

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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 C22H20Cl3N3O5S MW 544.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20Cl3N3O5S/c1-3-32-20(31)15-12(2)16(18(30)26-13-8-5-4-6-9-13)34-19(15)28-21(22(23,24)25)27-17(29)14-10-7-11-33-14/h4-11,21,28H,3H2,1-2H3,(H,26,30)(H,27,29)
InChIKey
AKRGQPMWOWHQIY-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC=CC=C2)NC(C(Cl)(Cl)Cl)NC(=O)C3=CC=CO3
ethyl4methyl5(phenylcarbamoyl)2((222trichloro1((furan2ylcarbonyl)amino)ethyl)amino)thiophene3carboxylate
ETHYL4METHYL5(PHENYLCARBAMOYL)2((222TRICHLORO1(FURAN2CARBONYLAMINO)ETHYL)AMINO)THIOPHENE3CARBOXYLATE
ETHYL5(ANILINOCARBONYL)4METHYL2((222TRICHLORO1(2FUROYLAMINO)ETHYL)AMINO)3THIOPHENECARBOXYLATE
InChI=1SC22H20Cl3N3O5Sc133220(31)1512(2)16(18(30)26138546913)3419(15)2821(22(2324)25)2717(29)14107113314h4112128H3H212H3(H2630)(H2729)
MFCD01163109
ZINC000000677582
ZINC000000677584

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Available files

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