Vitas-M small molecule compound
2-[({2,2,2-trichloro-1-[(2,2-dimethylpropanoyl)amino]ethyl}carbamothioyl)amino]benzoic acid
Catalog ID
STK369557
SMILES S=C(Nc1ccccc1C(=O)O)NC(C(Cl)(Cl)Cl)NC(=O)C(C)(C)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 C15H18Cl3N3O3S MW 426.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H18Cl3N3O3S/c1-14(2,3)12(24)20-11(15(16,17)18)21-13(25)19-9-7-5-4-6-8(9)10(22)23/h4-7,11H,1-3H3,(H,20,24)(H,22,23)(H2,19,21,25)InChIKey
LHKZNIBSZNOOLF-UHFFFAOYSA-NSynonyms
2((((1(22DIMETHYLPROPANOYLAMINO)222TRICHLOROETHYL)AMINO)THIOXOMETHYL)AMINO)BENZOICACID
2((((1S)222TRICHLORO1((22DIMETHYLPROPANOYL)AMINO)ETHYL)CARBAMOTHIOYL)AMINO)BENZOICACID
2(((222trichloro1((22dimethylpropanoyl)amino)ethyl)carbamothioyl)amino)benzoicacid
2((222TRICHLORO1(22DIMETHYLPROPANOYLAMINO)ETHYL)CARBAMOTHIOYLAMINO)BENZOICACID
CC(C)(C)C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC1=CC=CC=C1C(=O)O
InChI=1SC15H18Cl3N3O3Sc114(23)12(24)2011(15(1617)18)2113(25)19975468(9)10(22)23h4711H13H3(H2024)(H2223)(H2192125)
MFCD00372776
ZINC000002905322
ZINC000002905323
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