Vitas-M small molecule compound
(5E)-1-(4-methylphenyl)-5-(1-{[4-(trifluoromethyl)benzyl]amino}ethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STL447300
SMILES Cc1ccc(cc1)N1C(=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 C21H18F3N3O3 MW 417.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18F3N3O3/c1-12-3-9-16(10-4-12)27-19(29)17(18(28)26-20(27)30)13(2)25-11-14-5-7-15(8-6-14)21(22,23)24/h3-10,25H,11H2,1-2H3,(H,26,28,30)/b17-13+InChIKey
YRJAZKPAUVZGAN-GHRIWEEISA-NSynonyms
(5E)1(4methylphenyl)5(1((4(trifluoromethyl)benzyl)amino)ethylidene)pyrimidine246(1H3H5H)trione
(5E)1(4METHYLPHENYL)5(1((4(TRIFLUOROMETHYL)PHENYL)METHYLAMINO)ETHYLIDENE)13DIAZINANE246TRIONE
CC1=CC=C(C=C1)N2C(=O)C(=C(C)NCC3=CC=C(C=C3)C(F)(F)F)C(=O)NC2=O
Cc1ccc(cc1)N1C(=O)NC(=O)C(=C(NCc2ccc(cc2)C(F)(F)F)C)C1=O
InChI=1SC21H18F3N3O3c1123916(10412)2719(29)17(18(28)2620(27)30)13(2)2511145715(8614)21(2223)24h31025H11H212H3(H262830)b1713+
MFCD06243648
ZINC000005884637
ZINC5884637
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