Vitas-M small molecule compound
propan-2-yl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK375266
SMILES COc1cc(cc(c1O)Br)C1NC(=O)N(C(=C1C(=O)OC(C)C)C)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 C17H21BrN2O5 MW 413.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H21BrN2O5/c1-8(2)25-16(22)13-9(3)20(4)17(23)19-14(13)10-6-11(18)15(21)12(7-10)24-5/h6-8,14,21H,1-5H3,(H,19,23)InChIKey
QHKMQQNQPGCOMZ-UHFFFAOYSA-NSynonyms
CC1=C(C(NC(=O)N1C)C2=CC(=C(C(=C2)Br)O)OC)C(=O)OC(C)C
InChI=1SC17H21BrN2O5c18(2)2516(22)139(3)20(4)17(23)1914(13)10611(18)15(21)12(710)245h681421H15H3(H1923)
METHYLETHYL6(3BROMO4HYDROXY5METHOXYPHENYL)34DIMETHYL2OXO136TRIHYDROPYRIMIDINE5CARBOXYLATE
MFCD01133757
propan2yl4(3bromo4hydroxy5methoxyphenyl)16dimethyl2oxo1234tetrahydropyrimidine5carboxylate
PROPAN2YL6(3BROMO4HYDROXY5METHOXYPHENYL)34DIMETHYL2OXO16DIHYDROPYRIMIDINE5CARBOXYLATE
ZINC000000647142
ZINC000000647144
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