Vitas-M small molecule compound
methyl 2-({[4-(3-ethoxy-4-hydroxy-5-iodophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidin-5-yl]carbonyl}amino)benzoate
Catalog ID
STL181497
SMILES CCOc1cc(cc(c1O)I)C1NC(=O)NC(=C1C(=O)Nc1ccccc1C(=O)OC)C
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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 C22H22IN3O6 MW 551.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22IN3O6/c1-4-32-16-10-12(9-14(23)19(16)27)18-17(11(2)24-22(30)26-18)20(28)25-15-8-6-5-7-13(15)21(29)31-3/h5-10,18,27H,4H2,1-3H3,(H,25,28)(H2,24,26,30)InChIKey
VFOCHXSQZGHLQQ-UHFFFAOYSA-NSynonyms
CCOC1=C(C(=CC(=C1)C2C(=C(NC(=O)N2)C)C(=O)NC3=CC=CC=C3C(=O)OC)I)O
InChI=1SC22H22IN3O6c1432161012(914(23)19(16)27)1817(11(2)2422(30)2618)20(28)2515865713(15)21(29)313h5101827H4H213H3(H2528)(H2242630)
methyl2(((4(3ethoxy4hydroxy5iodophenyl)6methyl2oxo1234tetrahydropyrimidin5yl)carbonyl)amino)benzoate
METHYL2((4(3ETHOXY4HYDROXY5IODOPHENYL)6METHYL2OXO34DIHYDRO1HPYRIMIDINE5CARBONYL)AMINO)BENZOATE
MFCD05667899
ZINC000059603533
ZINC000059603536
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