Vitas-M small molecule compound
methyl 2-({[1-(acetylamino)-2,2,2-trichloroethyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK861854
SMILES COC(=O)c1c(NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C)sc2c1CCCC2
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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 C15H18Cl3N3O3S2 MW 458.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H18Cl3N3O3S2/c1-7(22)19-13(15(16,17)18)21-14(25)20-11-10(12(23)24-2)8-5-3-4-6-9(8)26-11/h13H,3-6H2,1-2H3,(H,19,22)(H2,20,21,25)InChIKey
PVXVDQXBDOSIDD-UHFFFAOYSA-NSynonyms
CC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC1=C(C2=C(S1)CCCC2)C(=O)OC
InChI=1SC15H18Cl3N3O3S2c17(22)1913(15(1617)18)2114(25)201110(12(23)242)853469(8)2611h13H36H212H3(H1922)(H2202125)
methyl2(((1(acetylamino)222trichloroethyl)carbamothioyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((1acetamido222trichloroethyl)carbamothioylamino)4567tetrahydro1benzothiophene3carboxylate
MFCD01458980
ZINC000001446608
ZINC000001446609
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Check stock on Vitas-MAvailable files
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