Vitas-M small molecule compound
methyl 2-{[(2,2,2-trichloro-1-{[(2,4-dichlorophenyl)carbonyl]amino}ethyl)carbamothioyl]amino}benzoate
Catalog ID
STK809759
SMILES COC(=O)c1ccccc1NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)c1ccc(cc1Cl)Cl
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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 C18H14Cl5N3O3S MW 529.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14Cl5N3O3S/c1-29-15(28)11-4-2-3-5-13(11)24-17(30)26-16(18(21,22)23)25-14(27)10-7-6-9(19)8-12(10)20/h2-8,16H,1H3,(H,25,27)(H2,24,26,30)InChIKey
CHZALIPYAQBMQG-UHFFFAOYSA-NSynonyms
COC(=O)C1=CC=CC=C1NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C2=C(C=C(C=C2)Cl)Cl
InChI=1SC18H14Cl5N3O3Sc12915(28)11423513(11)2417(30)2616(18(2122)23)2514(27)10769(19)812(10)20h2816H1H3(H2527)(H2242630)
methyl2(((222trichloro1(((24dichlorophenyl)carbonyl)amino)ethyl)carbamothioyl)amino)benzoate
METHYL2((222TRICHLORO1((24DICHLOROBENZOYL)AMINO)ETHYL)CARBAMOTHIOYLAMINO)BENZOATE
MFCD00666575
ZINC000002688077
ZINC000002688079
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