Vitas-M small molecule compound
4-{[(2,2,2-trichloro-1-{[(4-methoxyphenyl)carbonyl]amino}ethyl)carbamothioyl]amino}benzoic acid
Catalog ID
STK369617
SMILES COc1ccc(cc1)C(=O)NC(C(Cl)(Cl)Cl)NC(=S)Nc1ccc(cc1)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 C18H16Cl3N3O4S MW 476.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16Cl3N3O4S/c1-28-13-8-4-10(5-9-13)14(25)23-16(18(19,20)21)24-17(29)22-12-6-2-11(3-7-12)15(26)27/h2-9,16H,1H3,(H,23,25)(H,26,27)(H2,22,24,29)InChIKey
DVDVPVMUMHQOJL-UHFFFAOYSA-NSynonyms
4(((222trichloro1(((4methoxyphenyl)carbonyl)amino)ethyl)carbamothioyl)amino)benzoicacid
4((222TRICHLORO1((4METHOXYBENZOYL)AMINO)ETHYL)CARBAMOTHIOYLAMINO)BENZOICACID
COC1=CC=C(C=C1)C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=C(C=C2)C(=O)O
InChI=1SC18H16Cl3N3O4Sc128138410(5913)14(25)2316(18(1920)21)2417(29)22126211(3712)15(26)27h2916H1H3(H2325)(H2627)(H2222429)
MFCD00340370
ZINC000001452581
ZINC000001452582
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