Vitas-M small molecule compound
(5E)-5-{[(2-ammoniocyclohexyl)amino]methylidene}-1-(2-ethoxyphenyl)-2,6-dioxo-1,2,5,6-tetrahydropyrimidin-4-olate
Catalog ID
STL055804
SMILES CCOc1ccccc1N1C(=O)N=C(/C(=C\NC2CCCCC2[NH3+])/C1=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 C19H24N4O4 MW 372.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H24N4O4/c1-2-27-16-10-6-5-9-15(16)23-18(25)12(17(24)22-19(23)26)11-21-14-8-4-3-7-13(14)20/h5-6,9-11,13-14,21H,2-4,7-8,20H2,1H3,(H,22,24,26)/b12-11+InChIKey
MHVFYFGGOMWTBX-VAWYXSNFSA-NSynonyms
(5E)5(((2AMINOCYCLOHEXYL)AMINO)METHYLIDENE)1(2ETHOXYPHENYL)13DIAZINANE246TRIONE
(5E)5(((2ammoniocyclohexyl)amino)methylidene)1(2ethoxyphenyl)26dioxo1256tetrahydropyrimidin4olate
(5E)5(((2azaniumylcyclohexyl)amino)methylidene)1(2ethoxyphenyl)46dioxopyrimidin2olate
CCOC1=CC=CC=C1N2C(=O)C(=CNC3CCCCC3(NH3+))C(=O)N=C2(O)
CCOc1ccccc1N1C(=O)N=C(C(=CNC2CCCCC2(NH3+))C1=O)(O)
InChI=1SC19H24N4O4c1227161065915(16)2318(25)12(17(24)2219(23)26)112114843713(14)20h56911131421H247820H21H3(H222426)b1211+
MFCD18249704
ZINC000020266926
ZINC000020266932
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