Vitas-M small molecule compound
(5E)-1-(2-ethoxyphenyl)-5-(1-{[4-(trifluoromethyl)benzyl]amino}ethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STL447359
SMILES CCOc1ccccc1N1C(=O)NC(=O)/C(=C(\NCc2ccc(cc2)C(F)(F)F)/C)/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 C22H20F3N3O4 MW 447.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20F3N3O4/c1-3-32-17-7-5-4-6-16(17)28-20(30)18(19(29)27-21(28)31)13(2)26-12-14-8-10-15(11-9-14)22(23,24)25/h4-11,26H,3,12H2,1-2H3,(H,27,29,31)/b18-13+InChIKey
GEKSAOPPVTUNAA-QGOAFFKASA-NSynonyms
(5E)1(2ethoxyphenyl)5(1((4(trifluoromethyl)benzyl)amino)ethylidene)pyrimidine246(1H3H5H)trione
(5E)1(2ethoxyphenyl)5(1((4(trifluoromethyl)phenyl)methylamino)ethylidene)13diazinane246trione
CCOC1=CC=CC=C1N2C(=O)C(=C(C)NCC3=CC=C(C=C3)C(F)(F)F)C(=O)NC2=O
CCOc1ccccc1N1C(=O)NC(=O)C(=C(NCc2ccc(cc2)C(F)(F)F)C)C1=O
InChI=1SC22H20F3N3O4c133217754616(17)2820(30)18(19(29)2721(28)31)13(2)26121481015(11914)22(2324)25h41126H312H212H3(H272931)b1813+
MFCD06243602
ZINC000001407394
ZINC1407394
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