Vitas-M small molecule compound
methyl 2-({[1-(acetylamino)-2,2,2-trichloroethyl]carbamothioyl}amino)benzoate
Catalog ID
STK808493
SMILES COC(=O)c1ccccc1NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)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 C13H14Cl3N3O3S MW 398.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H14Cl3N3O3S/c1-7(20)17-11(13(14,15)16)19-12(23)18-9-6-4-3-5-8(9)10(21)22-2/h3-6,11H,1-2H3,(H,17,20)(H2,18,19,23)InChIKey
FBMQXFUTLGCCFL-UHFFFAOYSA-NSynonyms
CC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC1=CC=CC=C1C(=O)OC
InChI=1SC13H14Cl3N3O3Sc17(20)1711(13(1415)16)1912(23)18964358(9)10(21)222h3611H12H3(H1720)(H2181923)
methyl2(((1(acetylamino)222trichloroethyl)carbamothioyl)amino)benzoate
METHYL2((1ACETAMIDO222TRICHLOROETHYL)CARBAMOTHIOYLAMINO)BENZOATE
MFCD00225941
ZINC000001232356
ZINC000001232357
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