Vitas-M small molecule compound
(5E)-3-benzyl-6-hydroxy-5-(1-{[3-(trifluoromethyl)phenyl]amino}propylidene)pyrimidine-2,4(3H,5H)-dione
Catalog ID
STL052263
SMILES CC/C(=C\1/C(=NC(=O)N(C1=O)Cc1ccccc1)O)/Nc1cccc(c1)C(F)(F)F
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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/c1-2-16(25-15-10-6-9-14(11-15)21(22,23)24)17-18(28)26-20(30)27(19(17)29)12-13-7-4-3-5-8-13/h3-11,25H,2,12H2,1H3,(H,26,28,30)/b17-16+InChIKey
GEIBYRLAAGVKBC-WUKNDPDISA-NSynonyms
(5E)1BENZYL5(1(3(TRIFLUOROMETHYL)ANILINO)PROPYLIDENE)13DIAZINANE246TRIONE
(5E)3benzyl6hydroxy5(1((3(trifluoromethyl)phenyl)amino)propylidene)pyrimidine24(3H5H)dione
CCC(=C1C(=NC(=O)N(C1=O)Cc1ccccc1)O)Nc1cccc(c1)C(F)(F)F
CCC(=C1C(=O)NC(=O)N(C1=O)CC2=CC=CC=C2)NC3=CC=CC(=C3)C(F)(F)F
InChI=1SC21H18F3N3O3c1216(2515106914(1115)21(2223)24)1718(28)2620(30)27(19(17)29)12137435813h31125H212H21H3(H262830)b1716+
MFCD05731137
ZINC000005625235
ZINC05625235
ZINC5625235
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