Vitas-M small molecule compound
(5E)-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-{[(4-fluorobenzyl)amino]methylidene}-6-hydroxypyrimidine-2,4(3H,5H)-dione
Catalog ID
STL039921
SMILES COc1cc(CCN2C(=O)N=C(/C(=C\NCc3ccc(cc3)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 C22H22FN3O5 MW 427.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22FN3O5/c1-30-18-8-5-14(11-19(18)31-2)9-10-26-21(28)17(20(27)25-22(26)29)13-24-12-15-3-6-16(23)7-4-15/h3-8,11,13,24H,9-10,12H2,1-2H3,(H,25,27,29)/b17-13+InChIKey
BJADOGRPLZGZML-GHRIWEEISA-NSynonyms
(5E)1(2(34DIMETHOXYPHENYL)ETHYL)5(((4FLUOROPHENYL)METHYLAMINO)METHYLIDENE)13DIAZINANE246TRIONE
(5E)3(2(34dimethoxyphenyl)ethyl)5(((4fluorobenzyl)amino)methylidene)6hydroxypyrimidine24(3H5H)dione
COC1=C(C=C(C=C1)CCN2C(=O)C(=CNCC3=CC=C(C=C3)F)C(=O)NC2=O)OC
COc1cc(CCN2C(=O)N=C(C(=CNCc3ccc(cc3)F)C2=O)O)ccc1OC
InChI=1SC22H22FN3O5c130188514(1119(18)312)9102621(28)17(20(27)2522(26)29)132412153616(23)7415h38111324H91012H212H3(H252729)b1713+
MFCD04072450
ZINC000002424369
ZINC02424369
ZINC2424369
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