Vitas-M small molecule compound
(5E)-3-(4-chlorophenyl)-5-{1-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]ethylidene}-6-hydroxypyrimidine-2,4(3H,5H)-dione
Catalog ID
STL055400
SMILES Clc1ccc(cc1)N1C(=O)N=C(/C(=C(\Nc2c(C)n(n(c2=O)c2ccccc2)C)/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 C23H20ClN5O4 MW 465.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20ClN5O4/c1-13(25-19-14(2)27(3)29(22(19)32)17-7-5-4-6-8-17)18-20(30)26-23(33)28(21(18)31)16-11-9-15(24)10-12-16/h4-12,25H,1-3H3,(H,26,30,33)/b18-13+InChIKey
QSXGBHDDLKAYQL-QGOAFFKASA-NSynonyms
(5E)1(4CHLOROPHENYL)5(1((15DIMETHYL3OXO2PHENYLPYRAZOL4YL)AMINO)ETHYLIDENE)13DIAZINANE246TRIONE
(5E)3(4chlorophenyl)5(1((15dimethyl3oxo2phenyl23dihydro1Hpyrazol4yl)amino)ethylidene)6hydroxypyrimidine24(3H5H)dione
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=C3C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)Cl)C
Clc1ccc(cc1)N1C(=O)N=C(C(=C(Nc2c(C)n(n(c2=O)c2ccccc2)C)C)C1=O)O
InChI=1SC23H20ClN5O4c113(251914(2)27(3)29(22(19)32)177546817)1820(30)2623(33)28(21(18)31)1611915(24)101216h41225H13H3(H263033)b1813+
MFCD07198553
ZINC000101084094
ZINC101084094
ZINC13750479
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