Vitas-M small molecule compound
4-[({2,2,2-trichloro-1-[(phenoxyacetyl)amino]ethyl}carbamothioyl)amino]benzoic acid
Catalog ID
STK821301
SMILES S=C(Nc1ccc(cc1)C(=O)O)NC(C(Cl)(Cl)Cl)NC(=O)COc1ccccc1
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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 C18H16Cl3N3O4S MW 476.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16Cl3N3O4S/c19-18(20,21)16(23-14(25)10-28-13-4-2-1-3-5-13)24-17(29)22-12-8-6-11(7-9-12)15(26)27/h1-9,16H,10H2,(H,23,25)(H,26,27)(H2,22,24,29)InChIKey
AQSRCLZLGCDJCT-UHFFFAOYSA-NSynonyms
4(((222trichloro1((phenoxyacetyl)amino)ethyl)carbamothioyl)amino)benzoicacid
4((222TRICHLORO1((2PHENOXYACETYL)AMINO)ETHYL)CARBAMOTHIOYLAMINO)BENZOICACID
C1=CC=C(C=C1)OCC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=C(C=C2)C(=O)O
InChI=1SC18H16Cl3N3O4Sc1918(2021)16(2314(25)1028134213513)2417(29)22128611(7912)15(26)27h1916H10H2(H2325)(H2627)(H2222429)
MFCD00549102
ZINC000002913314
ZINC000002913315
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