Vitas-M small molecule compound
(5E)-5-[(4-fluorophenyl){[2-(1H-imidazol-5-yl)ethyl]amino}methylidene]-1-(4-methoxyphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STL440614
SMILES COc1ccc(cc1)N1C(=O)NC(=O)/C(=C(/c2ccc(cc2)F)\NCCc2[nH]cnc2)/C1=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 C23H20FN5O4 MW 449.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20FN5O4/c1-33-18-8-6-17(7-9-18)29-22(31)19(21(30)28-23(29)32)20(14-2-4-15(24)5-3-14)26-11-10-16-12-25-13-27-16/h2-9,12-13,26H,10-11H2,1H3,(H,25,27)(H,28,30,32)/b20-19+InChIKey
VHFCVXAZBKQNQZ-FMQUCBEESA-NSynonyms
(5E)5((4fluorophenyl)((2(1Himidazol5yl)ethyl)amino)methylidene)1(4methoxyphenyl)pyrimidine246(1H3H5H)trione
(5E)5((4fluorophenyl)(2(1Himidazol5yl)ethylamino)methylidene)1(4methoxyphenyl)13diazinane246trione
COC1=CC=C(C=C1)N2C(=O)C(=C(C3=CC=C(C=C3)F)NCCC4=CN=CN4)C(=O)NC2=O
COc1ccc(cc1)N1C(=O)NC(=O)C(=C(c2ccc(cc2)F)NCCc2(nH)cnc2)C1=O
InChI=1SC23H20FN5O4c133188617(7918)2922(31)19(21(30)2823(29)32)20(142415(24)5314)261110161225132716h29121326H1011H21H3(H2527)(H283032)b2019+
MFCD08060146
ZINC000025183291
ZINC25183291
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