Vitas-M small molecule compound
2-phenoxyethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK373410
SMILES O=C1NC(C(=C(N1C)C)C(=O)OCCOc1ccccc1)c1cc2OCOc2cc1Br
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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 C22H21BrN2O6 MW 489.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21BrN2O6/c1-13-19(21(26)29-9-8-28-14-6-4-3-5-7-14)20(24-22(27)25(13)2)15-10-17-18(11-16(15)23)31-12-30-17/h3-7,10-11,20H,8-9,12H2,1-2H3,(H,24,27)InChIKey
OILCEUPBVNAAEA-UHFFFAOYSA-NSynonyms
2phenoxyethyl4(6bromo13benzodioxol5yl)16dimethyl2oxo1234tetrahydropyrimidine5carboxylate
2PHENOXYETHYL6(6BROMO(2HBENZO(D)13DIOXOLAN5YL))34DIMETHYL2OXO136TRIHYDROPYRIMIDINE5CARBOXYLATE
2PHENOXYETHYL6(6BROMO13BENZODIOXOL5YL)34DIMETHYL2OXO16DIHYDROPYRIMIDINE5CARBOXYLATE
CC1=C(C(NC(=O)N1C)C2=CC3=C(C=C2Br)OCO3)C(=O)OCCOC4=CC=CC=C4
InChI=1SC22H21BrN2O6c11319(21(26)299828146435714)20(2422(27)25(13)2)15101718(1116(15)23)31123017h37101120H8912H212H3(H2427)
MFCD00718154
ZINC000002057828
ZINC000002057829
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