Vitas-M small molecule compound
(5E)-3-(4-bromophenyl)-5-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]methylidene}-6-hydroxypyrimidine-2,4(3H,5H)-dione
Catalog ID
STL044602
SMILES Brc1ccc(cc1)N1C(=O)N=C(/C(=C\Nc2c(C)n(n(c2=O)c2ccccc2)C)/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 C22H18BrN5O4 MW 496.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18BrN5O4/c1-13-18(21(31)28(26(13)2)16-6-4-3-5-7-16)24-12-17-19(29)25-22(32)27(20(17)30)15-10-8-14(23)9-11-15/h3-12,24H,1-2H3,(H,25,29,32)/b17-12+InChIKey
NLWMVNAQZHQONX-SFQUDFHCSA-NSynonyms
(5E)1(4BROMOPHENYL)5(((15DIMETHYL3OXO2PHENYLPYRAZOL4YL)AMINO)METHYLIDENE)13DIAZINANE246TRIONE
(5E)3(4bromophenyl)5(((15dimethyl3oxo2phenyl23dihydro1Hpyrazol4yl)amino)methylidene)6hydroxypyrimidine24(3H5H)dione
Brc1ccc(cc1)N1C(=O)N=C(C(=CNc2c(C)n(n(c2=O)c2ccccc2)C)C1=O)O
InChI=1SC22H18BrN5O4c11318(21(31)28(26(13)2)166435716)24121719(29)2522(32)27(20(17)30)1510814(23)91115h31224H12H3(H252932)b1712+
MFCD03796757
ZINC000009438742
ZINC09438742
ZINC9438742
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