Vitas-M small molecule compound
2-({(Z)-[1-(4-fluorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)-5-hydroxy-1H-benzo[de]isoquinoline-1,3(2H)-dione
Catalog ID
STL412363
SMILES Fc1ccc(cc1)N1N=C(/C(=C/Nn2c(=O)c3cccc4c3c(c2=O)cc(c4)O)/C1=O)C
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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 C23H15FN4O4 MW 430.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H15FN4O4/c1-12-19(23(32)27(26-12)15-7-5-14(24)6-8-15)11-25-28-21(30)17-4-2-3-13-9-16(29)10-18(20(13)17)22(28)31/h2-11,25,29H,1H3/b19-11-InChIKey
VAIDEHCOMWRIAP-ODLFYWEKSA-NSynonyms
2(((Z)(1(4fluorophenyl)3methyl5oxo15dihydro4Hpyrazol4ylidene)methyl)amino)5hydroxy1Hbenzo(de)isoquinoline13(2H)dione
2(((Z)(1(4FLUOROPHENYL)3METHYL5OXOPYRAZOL4YLIDENE)METHYL)AMINO)5HYDROXYBENZO(DE)ISOQUINOLINE13DIONE
CC1=NN(C(=O)C1=CNN2C(=O)C3=CC=CC4=CC(=CC(=C43)C2=O)O)C5=CC=C(C=C5)F
Fc1ccc(cc1)N1N=C(C(=CNn2c(=O)c3cccc4c3c(c2=O)cc(c4)O)C1=O)C
InChI=1SC23H15FN4O4c11219(23(32)27(2612)157514(24)6815)11252821(30)1742313916(29)1018(20(13)17)22(28)31h2112529H1H3b1911
MFCD03549826
ZINC000016160672
ZINC16160672
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