Vitas-M small molecule compound
prop-2-en-1-yl 4-[3-(4-ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK822947
SMILES C=CCOC(=O)C1=C(C)NC(=O)NC1c1cn(nc1c1ccc(c(c1)[N+](=O)[O-])OCC)c1ccccc1
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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 C26H25N5O6 MW 503.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N5O6/c1-4-13-37-25(32)22-16(3)27-26(33)28-24(22)19-15-30(18-9-7-6-8-10-18)29-23(19)17-11-12-21(36-5-2)20(14-17)31(34)35/h4,6-12,14-15,24H,1,5,13H2,2-3H3,(H2,27,28,33)InChIKey
PVXHSCSAAMKVJD-UHFFFAOYSA-NSynonyms
C=CCOC(=O)C1=C(C)NC(=O)NC1c1cn(nc1c1ccc(c(c1)(N+)(=O)(O))OCC)c1ccccc1
CCOC1=C(C=C(C=C1)C2=NN(C=C2C3C(=C(NC(=O)N3)C)C(=O)OCC=C)C4=CC=CC=C4)(N+)(=O)(O)
InChI=1SC26H25N5O6c14133725(32)2216(3)2726(33)2824(22)191530(1897681018)2923(19)17111221(3652)20(1417)31(34)35h4612141524H1513H223H3(H2272833)
MFCD03463506
prop2en1yl4(3(4ethoxy3nitrophenyl)1phenyl1Hpyrazol4yl)6methyl2oxo1234tetrahydropyrimidine5carboxylate
prop2enyl4(3(4ethoxy3nitrophenyl)1phenylpyrazol4yl)6methyl2oxo34dihydro1Hpyrimidine5carboxylate
ZINC000027017990
ZINC000027017994
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