Vitas-M small molecule compound
(5E)-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-{[(2-fluorophenyl)amino]methylidene}-6-hydroxypyrimidine-2,4(3H,5H)-dione
Catalog ID
STL052276
SMILES COc1ccc(cc1OC)CCN1C(=O)N=C(/C(=C\Nc2ccccc2F)/C1=O)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 C21H20FN3O5 MW 413.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20FN3O5/c1-29-17-8-7-13(11-18(17)30-2)9-10-25-20(27)14(19(26)24-21(25)28)12-23-16-6-4-3-5-15(16)22/h3-8,11-12,23H,9-10H2,1-2H3,(H,24,26,28)/b14-12+InChIKey
BCUNWRUJOBSGGT-WYMLVPIESA-NSynonyms
(5E)1(2(34DIMETHOXYPHENYL)ETHYL)5((2FLUOROANILINO)METHYLIDENE)13DIAZINANE246TRIONE
(5E)3(2(34dimethoxyphenyl)ethyl)5(((2fluorophenyl)amino)methylidene)6hydroxypyrimidine24(3H5H)dione
1(2(34DIMETHOXYPHENYL)ETHYL)5(1(2FLUOROPHENYLAMINO)METH(E)YLIDENE)PYRIMIDINE246TRIONE
COC1=C(C=C(C=C1)CCN2C(=O)C(=CNC3=CC=CC=C3F)C(=O)NC2=O)OC
COc1ccc(cc1OC)CCN1C(=O)N=C(C(=CNc2ccccc2F)C1=O)O
InChI=1SC21H20FN3O5c129178713(1118(17)302)9102520(27)14(19(26)2421(25)28)122316643515(16)22h38111223H910H212H3(H242628)b1412+
MFCD05727136
ZINC000017207578
ZINC17207578
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