Vitas-M small molecule compound

(5E)-6-hydroxy-3-(4-methoxyphenyl)-5-(1-{[3-(trifluoromethyl)phenyl]amino}propylidene)pyrimidine-2,4(3H,5H)-dione

Catalog ID
STL055672
SMILES CC/C(=C\1/C(=NC(=O)N(C1=O)c1ccc(cc1)OC)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 C21H18F3N3O4 MW 433.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18F3N3O4/c1-3-16(25-13-6-4-5-12(11-13)21(22,23)24)17-18(28)26-20(30)27(19(17)29)14-7-9-15(31-2)10-8-14/h4-11,25H,3H2,1-2H3,(H,26,28,30)/b17-16+
InChIKey
JLYSOJRCTDSVHP-WUKNDPDISA-N
Synonyms

(5E)1(4methoxyphenyl)5(1(3(trifluoromethyl)anilino)propylidene)13diazinane246trione
(5E)6hydroxy3(4methoxyphenyl)5(1((3(trifluoromethyl)phenyl)amino)propylidene)pyrimidine24(3H5H)dione
CCC(=C1C(=NC(=O)N(C1=O)c1ccc(cc1)OC)O)Nc1cccc(c1)C(F)(F)F
CCC(=C1C(=O)NC(=O)N(C1=O)C2=CC=C(C=C2)OC)NC3=CC=CC(=C3)C(F)(F)F
InChI=1SC21H18F3N3O4c1316(251364512(1113)21(2223)24)1718(28)2620(30)27(19(17)29)147915(312)10814h41125H3H212H3(H262830)b1716+
MFCD07205573
ZINC000009459803
ZINC09459803
ZINC9459803

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Available files

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