Vitas-M small molecule compound
ethyl 4-(1-ethyl-1H-pyrazol-4-yl)-6-[(4-nitro-1H-pyrazol-1-yl)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STL399551
SMILES CCOC(=O)C1=C(NC(=O)NC1c1cnn(c1)CC)Cn1ncc(c1)[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 C16H19N7O5 MW 389.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H19N7O5/c1-3-21-7-10(5-17-21)14-13(15(24)28-4-2)12(19-16(25)20-14)9-22-8-11(6-18-22)23(26)27/h5-8,14H,3-4,9H2,1-2H3,(H2,19,20,25)InChIKey
GGXLOYKSCGCFAD-UHFFFAOYSA-NSynonyms
1005614-79-81005614798
CCN1C=C(C=N1)C2C(=C(NC(=O)N2)CN3C=C(C=N3)(N+)(=O)(O))C(=O)OCC
CCOC(=O)C1=C(NC(=O)NC1c1cnn(c1)CC)Cn1ncc(c1)(N+)(=O)(O)
ethyl4(1ethyl1Hpyrazol4yl)6((4nitro1Hpyrazol1yl)methyl)2oxo1234tetrahydropyrimidine5carboxylate
ethyl4(1ethylpyrazol4yl)6((4nitropyrazol1yl)methyl)2oxo34dihydro1Hpyrimidine5carboxylate
InChI=1SC16H19N7O5c1321710(51721)1413(15(24)2842)12(1916(25)2014)922811(61822)23(26)27h5814H349H212H3(H2192025)
MFCD05667444
ZINC000017079450
ZINC000017079451
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