Vitas-M small molecule compound
(5E)-3-[2-(3,4-dimethoxyphenyl)ethyl]-6-hydroxy-5-({[3-(trifluoromethyl)phenyl]amino}methylidene)pyrimidine-2,4(3H,5H)-dione
Catalog ID
STL051210
SMILES COc1cc(CCN2C(=O)N=C(/C(=C\Nc3cccc(c3)C(F)(F)F)/C2=O)O)ccc1OC
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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 C22H20F3N3O5 MW 463.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20F3N3O5/c1-32-17-7-6-13(10-18(17)33-2)8-9-28-20(30)16(19(29)27-21(28)31)12-26-15-5-3-4-14(11-15)22(23,24)25/h3-7,10-12,26H,8-9H2,1-2H3,(H,27,29,31)/b16-12+InChIKey
NBGOFPAIJKXCNZ-FOWTUZBSSA-NSynonyms
(5E)1(2(34DIMETHOXYPHENYL)ETHYL)5((3(TRIFLUOROMETHYL)ANILINO)METHYLIDENE)13DIAZINANE246TRIONE
(5E)3(2(34dimethoxyphenyl)ethyl)6hydroxy5(((3(trifluoromethyl)phenyl)amino)methylidene)pyrimidine24(3H5H)dione
COC1=C(C=C(C=C1)CCN2C(=O)C(=CNC3=CC=CC(=C3)C(F)(F)F)C(=O)NC2=O)OC
COc1cc(CCN2C(=O)N=C(C(=CNc3cccc(c3)C(F)(F)F)C2=O)O)ccc1OC
InChI=1SC22H20F3N3O5c132177613(1018(17)332)892820(30)16(19(29)2721(28)31)12261553414(1115)22(2324)25h37101226H89H212H3(H272931)b1612+
MFCD05732108
ZINC000013512944
ZINC13512944
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