Vitas-M small molecule compound
ethyl 6-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STL107625
SMILES CCOC(=O)C1=C(CN2CCc3c(C2)cccc3)NC(=O)NC1c1ccc(cc1)[N+](=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 C23H24N4O5 MW 436.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24N4O5/c1-2-32-22(28)20-19(14-26-12-11-15-5-3-4-6-17(15)13-26)24-23(29)25-21(20)16-7-9-18(10-8-16)27(30)31/h3-10,21H,2,11-14H2,1H3,(H2,24,25,29)InChIKey
RYUIRNQFRFKWNH-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(CN2CCc3c(C2)cccc3)NC(=O)NC1c1ccc(cc1)(N+)(=O)(O)
CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)(N+)(=O)(O))CN3CCC4=CC=CC=C4C3
ethyl6(34dihydro1Hisoquinolin2ylmethyl)4(4nitrophenyl)2oxo34dihydro1Hpyrimidine5carboxylate
ethyl6(34dihydroisoquinolin2(1H)ylmethyl)4(4nitrophenyl)2oxo1234tetrahydropyrimidine5carboxylate
InChI=1SC23H24N4O5c123222(28)2019(1426121115534617(15)1326)2423(29)2521(20)167918(10816)27(30)31h31021H21114H21H3(H2242529)
MFCD20741558
ZINC000067286256
ZINC000067286257
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