Vitas-M small molecule compound
butyl 4-({[(3-bromo-4-ethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate
Catalog ID
STK148403
SMILES CCCCOC(=O)c1ccc(cc1)NC(=S)NC(=O)c1ccc(c(c1)Br)OCC
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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 C21H23BrN2O4S MW 479.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23BrN2O4S/c1-3-5-12-28-20(26)14-6-9-16(10-7-14)23-21(29)24-19(25)15-8-11-18(27-4-2)17(22)13-15/h6-11,13H,3-5,12H2,1-2H3,(H2,23,24,25,29)InChIKey
YYETXSDJSJLEMU-UHFFFAOYSA-NSynonyms
BUTYL4((((3BROMO4ETHOXYPHENYL)CARBONYL)CARBAMOTHIOYL)AMINO)BENZOATE
BUTYL4((3BROMO4ETHOXYBENZOYL)CARBAMOTHIOYLAMINO)BENZOATE
CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)OCC)Br
InChI=1SC21H23BrN2O4Sc135122820(26)146916(10714)2321(29)2419(25)1581118(2742)17(22)1315h61113H3512H212H3(H223242529)
MFCD02821251
ZINC000002987054
ZINC02987054
ZINC2987054
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