Vitas-M small molecule compound
4-({[(3-bromo-4-ethoxyphenyl)carbonyl]carbamothioyl}amino)-2-chlorobenzoic acid
Catalog ID
STK106869
SMILES CCOc1ccc(cc1Br)C(=O)NC(=S)Nc1ccc(c(c1)Cl)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 C17H14BrClN2O4S MW 457.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14BrClN2O4S/c1-2-25-14-6-3-9(7-12(14)18)15(22)21-17(26)20-10-4-5-11(16(23)24)13(19)8-10/h3-8H,2H2,1H3,(H,23,24)(H2,20,21,22,26)InChIKey
QTHNIAOQUBEWMK-UHFFFAOYSA-NSynonyms
4((((3BROMO4ETHOXYPHENYL)CARBONYL)CARBAMOTHIOYL)AMINO)2CHLOROBENZOICACID
4(((3BROMO4ETHOXYBENZOYL)CARBAMOTHIOYL)AMINO)2CHLOROBENZOICACID
4((3BROMO4ETHOXYBENZOYL)CARBAMOTHIOYLAMINO)2CHLOROBENZOICACID
CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)C(=O)O)Cl)Br
InChI=1SC17H14BrClN2O4Sc122514639(712(14)18)15(22)2117(26)20104511(16(23)24)13(19)810h38H2H21H3(H2324)(H220212226)
MFCD03563915
ZINC000001159724
ZINC1159724
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