Vitas-M small molecule compound
3-[({2,2,2-trichloro-1-[(2-methylpropanoyl)amino]ethyl}carbamothioyl)amino]benzoic acid
Catalog ID
STK809672
SMILES S=C(NC(C(Cl)(Cl)Cl)NC(=O)C(C)C)Nc1cccc(c1)C(=O)O
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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 C14H16Cl3N3O3S MW 412.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H16Cl3N3O3S/c1-7(2)10(21)19-12(14(15,16)17)20-13(24)18-9-5-3-4-8(6-9)11(22)23/h3-7,12H,1-2H3,(H,19,21)(H,22,23)(H2,18,20,24)InChIKey
LGQYQFNCMOXLCD-UHFFFAOYSA-NSynonyms
3(((222trichloro1((2methylpropanoyl)amino)ethyl)carbamothioyl)amino)benzoicacid
3((222TRICHLORO1(2METHYLPROPANOYLAMINO)ETHYL)CARBAMOTHIOYLAMINO)BENZOICACID
CC(C)C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC1=CC=CC(=C1)C(=O)O
InChI=1SC14H16Cl3N3O3Sc17(2)10(21)1912(14(1516)17)2013(24)1895348(69)11(22)23h3712H12H3(H1921)(H2223)(H2182024)
MFCD00268686
ZINC000002682788
ZINC000002682789
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