Phthalazinones

Description:

Compounds containing a phthalazine bearing a ketone group.

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  1. N-(5-(N-(3-chlorophenyl)sulfamoyl)-2-hydroxyphenyl)-2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetamide
    CAS: 1016456-76-0 Formula: C23H19ClN4O5S Molecular Weight: 498.900
    Out of Stock Item #: N979553
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    IUPAC Name
    N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
    SMILES
    CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)NC3=C(C=CC(=C3)S(=O)(=O)NC4=CC(=CC=C4)Cl)O
    InChIKey
    CLWDCBBEVQRZLY-UHFFFAOYSA-N
    InChI
    1S/C23H19ClN4O5S/c1-28-23(31)18-8-3-2-7-17(18)19(26-28)13-22(30)25-20-12-16(9-10-21(20)29)34(32,33)27-15-6-4-5-14(24)11-15/h2-12,27,29H,13H2,1H3,(H,25show more
  2. Flezelastine monohydrochloride
    CAS: 110406-33-2 PubChem CID: 60431
    Out of Stock Item #: F1310867
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    IUPAC Name
    4-[(4-fluorophenyl)methyl]-2-[1-(2-phenylethyl)azepan-4-yl]phthalazin-1-one;hydrochloride
    SMILES
    C1CC(CCN(C1)CCC2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C(=N3)CC5=CC=C(C=C5)F.Cl
    InChIKey
    KBNISKYDAJMVNI-UHFFFAOYSA-N
    InChI
    1S/C29H30FN3O.ClH/c30-24-14-12-23(13-15-24)21-28-26-10-4-5-11-27(26)29(34)33(31-28)25-9-6-18-32(20-17-25)19-16-22-7-2-1-3-8-22;/h1-5,7-8,10-15,25H,6,9show more
  3. 3-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzoicacid
    CAS: 420846-72-6 PubChem CID: 25131906 Formula: C16H12N2O3 Molecular Weight: 280.28
    Out of Stock Item #: M770216
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    IUPAC Name
    3-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid
    SMILES
    C1=CC=C2C(=C1)C(=NNC2=O)CC3=CC(=CC=C3)C(=O)O
    InChIKey
    LOEQJTGFMWZFBM-UHFFFAOYSA-N
    InChI
    1S/C16H12N2O3/c19-15-13-7-2-1-6-12(13)14(17-18-15)9-10-4-3-5-11(8-10)16(20)21/h1-8H,9H2,(H,18,19)(H,20,21)
  4. 4-Benzylphthalazin-1(2H)-one
    CAS: 32003-14-8 PubChem CID: 616651 Formula: C15H12N2O Molecular Weight: 236.28
    Solid ≥95%
    In Stock Item #: B735356
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    IUPAC Name
    4-benzyl-2H-phthalazin-1-one
    SMILES
    C1=CC=C(C=C1)CC2=NNC(=O)C3=CC=CC=C32
    InChIKey
    JUCCMEHWBGPJKS-UHFFFAOYSA-N
    InChI
    1S/C15H12N2O/c18-15-13-9-5-4-8-12(13)14(16-17-15)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,17,18)
  5. 2-Fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzonitrile
    CAS: 1021298-68-9 PubChem CID: 24811739 Formula: C16H10FN3O Molecular Weight: 279.27
    Out of Stock Item #: F731416
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    IUPAC Name
    2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzonitrile
    SMILES
    C1=CC=C2C(=C1)C(=NNC2=O)CC3=CC(=C(C=C3)F)C#N
    InChIKey
    LCPWJQRZOHAMOZ-UHFFFAOYSA-N
    InChI
    1S/C16H10FN3O/c17-14-6-5-10(7-11(14)9-18)8-15-12-3-1-2-4-13(12)16(21)20-19-15/h1-7H,8H2,(H,20,21)
  6. 2-Methylphthalazin-1(2H)-one
    CAS: 6091-81-2 PubChem CID: 313378 Formula: C9H8N2O Molecular Weight: 160.17
    Out of Stock Item #: M697335
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    Technical Identifiers
    IUPAC Name
    2-methylphthalazin-1-one
    SMILES
    CN1C(=O)C2=CC=CC=C2C=N1
    InChIKey
    ZXMPSTMIJQZYLV-UHFFFAOYSA-N
    InChI
    1S/C9H8N2O/c1-11-9(12)8-5-3-2-4-7(8)6-10-11/h2-6H,1H3
  7. Ethyl 2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetate
    CAS: 356790-62-0 PubChem CID: 655517 Formula: C13H14N2O3 Molecular Weight: 246.26
    Out of Stock Item #: E692756
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    Technical Identifiers
    IUPAC Name
    ethyl 2-(3-methyl-4-oxophthalazin-1-yl)acetate
    SMILES
    CCOC(=O)CC1=NN(C(=O)C2=CC=CC=C21)C
    InChIKey
    MOQFTWAPXKWBLW-UHFFFAOYSA-N
    InChI
    1S/C13H14N2O3/c1-3-18-12(16)8-11-9-6-4-5-7-10(9)13(17)15(2)14-11/h4-7H,3,8H2,1-2H3
  8. 4-Methyl-2-phenylphthalazin-1(2H)-one
    CAS: 6941-96-4 PubChem CID: 245552 Formula: C15H12N2O Molecular Weight: 236.27
    Out of Stock Item #: M696768
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    Technical Identifiers
    IUPAC Name
    4-methyl-2-phenylphthalazin-1-one
    SMILES
    CC1=NN(C(=O)C2=CC=CC=C12)C3=CC=CC=C3
    InChIKey
    GUVJWGAVZJXYTJ-UHFFFAOYSA-N
    InChI
    1S/C15H12N2O/c1-11-13-9-5-6-10-14(13)15(18)17(16-11)12-7-3-2-4-8-12/h2-10H,1H3
  9. 4-Bromophthalazin-1(2H)-one
    CAS: 19064-73-4 PubChem CID: 614310 Formula: C8H5BrN2O Molecular Weight: 225.05
    Out of Stock Item #: B698466
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    Technical Identifiers
    IUPAC Name
    4-bromo-2H-phthalazin-1-one
    SMILES
    C1=CC=C2C(=C1)C(=O)NN=C2Br
    InChIKey
    DHXVJJHOVGTNDK-UHFFFAOYSA-N
    InChI
    1S/C8H5BrN2O/c9-7-5-3-1-2-4-6(5)8(12)11-10-7/h1-4H,(H,11,12)
  10. 4-(4-Chlorobenzyl)phthalazin-1(2H)-one
    CAS: 53242-88-9 PubChem CID: 104452 Formula: C15H11ClN2O Molecular Weight: 270.72
    Solid ≥98%
    In Stock Item #: H695449
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    Technical Identifiers
    IUPAC Name
    4-[(4-chlorophenyl)methyl]-2H-phthalazin-1-one
    SMILES
    C1=CC=C2C(=C1)C(=NNC2=O)CC3=CC=C(C=C3)Cl
    InChIKey
    NLXGCQIEVZYDRS-UHFFFAOYSA-N
    InChI
    1S/C15H11ClN2O/c16-11-7-5-10(6-8-11)9-14-12-3-1-2-4-13(12)15(19)18-17-14/h1-8H,9H2,(H,18,19)
  11. 2-Phenylphthalazin-1(2H)-one
    CAS: 6266-49-5 PubChem CID: 235626
    Out of Stock Item #: P696644
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    Technical Identifiers
    IUPAC Name
    2-phenylphthalazin-1-one
    SMILES
    C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C=N2
    InChIKey
    BCCBXCGRKOKWBZ-UHFFFAOYSA-N
    InChI
    1S/C14H10N2O/c17-14-13-9-5-4-6-11(13)10-15-16(14)12-7-2-1-3-8-12/h1-10H
  12. 2-Methyl-2,3-dihydrophthalazine-1,4-dione
    CAS: 18393-54-9 PubChem CID: 314939 Formula: C9H8N2O2 Molecular Weight: 176.17
    Out of Stock Item #: M697350
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    Technical Identifiers
    IUPAC Name
    3-methyl-2H-phthalazine-1,4-dione
    SMILES
    CN1C(=O)C2=CC=CC=C2C(=O)N1
    InChIKey
    RDVYNYHUUGFVQN-UHFFFAOYSA-N
    InChI
    1S/C9H8N2O2/c1-11-9(13)7-5-3-2-4-6(7)8(12)10-11/h2-5H,1H3,(H,10,12)
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