Vitas-M small molecule compound
ethyl 1-ethyl-6-[(4-nitrophenoxy)methyl]-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STL178667
SMILES CCOC(=O)C1=C(COc2ccc(cc2)[N+](=O)[O-])N(C(=O)NC1c1ccccc1)CC
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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 C22H23N3O6 MW 425.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N3O6/c1-3-24-18(14-31-17-12-10-16(11-13-17)25(28)29)19(21(26)30-4-2)20(23-22(24)27)15-8-6-5-7-9-15/h5-13,20H,3-4,14H2,1-2H3,(H,23,27)InChIKey
HIVATAZMZDMLPI-UHFFFAOYSA-NSynonyms
832745-65-0832745650
CCN1C(=C(C(NC1=O)C2=CC=CC=C2)C(=O)OCC)COC3=CC=C(C=C3)(N+)(=O)(O)
CCOC(=O)C1=C(COc2ccc(cc2)(N+)(=O)(O))N(C(=O)NC1c1ccccc1)CC
ethyl1ethyl6((4nitrophenoxy)methyl)2oxo4phenyl1234tetrahydropyrimidine5carboxylate
ethyl3ethyl4((4nitrophenoxy)methyl)2oxo6phenyl16dihydropyrimidine5carboxylate
InChI=1SC22H23N3O6c132418(143117121016(111317)25(28)29)19(21(26)3042)20(2322(24)27)158657915h51320H3414H212H3(H2327)
MFCD05667503
ZINC000028631998
ZINC000028632001
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