Isoindoles and derivatives

Description:

Polycyclic compounds containing an isoindole moiety, which is structurally characterized by a cyclohexadiene fused to a pyrrole ring.

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  1. Mitoquidone
    CAS: 91753-07-0 Formula: C20H13NO2 Molecular Weight: 299.300
    Out of Stock Item #: M1045566
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    IUPAC Name
    11-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1,4,6,8,12,15,17,19-octaene-14,21-dione
    SMILES
    C1C2=CC=CC=C2CN3C1=C4C(=C3)C(=O)C5=CC=CC=C5C4=O
    InChIKey
    BFRVNBMAWXNICS-UHFFFAOYSA-N
    InChI
    1S/C20H13NO2/c22-19-14-7-3-4-8-15(14)20(23)18-16(19)11-21-10-13-6-2-1-5-12(13)9-17(18)21/h1-8,11H,9-10H2
  2. Cdc-801
    CAS: 192819-27-5 PubChem CID: 9844338
    Out of Stock Item #: C1323047
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    IUPAC Name
    3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
    SMILES
    COC1=C(C=C(C=C1)C(CC(=O)N)N2C(=O)C3=CC=CC=C3C2=O)OC4CCCC4
    InChIKey
    DDYUBCCTNHWSQM-UHFFFAOYSA-N
    InChI
    1S/C23H24N2O5/c1-29-19-11-10-14(12-20(19)30-15-6-2-3-7-15)18(13-21(24)26)25-22(27)16-8-4-5-9-17(16)23(25)28/h4-5,8-12,15,18H,2-3,6-7,13H2,1H3,(H2,24,2show more
  3. 4-(Isoindolin-2-yl)benzaldehyde
    CAS: 109437-62-9 PubChem CID: 969428
    Out of Stock Item #: I1343878
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    IUPAC Name
    4-(1,3-dihydroisoindol-2-yl)benzaldehyde
    SMILES
    C1C2=CC=CC=C2CN1C3=CC=C(C=C3)C=O
    InChIKey
    GSAVXYHVHQTGEA-UHFFFAOYSA-N
    InChI
    1S/C15H13NO/c17-11-12-5-7-15(8-6-12)16-9-13-3-1-2-4-14(13)10-16/h1-8,11H,9-10H2
  4. 3-oxo-2-phenyl-2,3-dihydro-1H-isoindole-4-carboxylic acid
    CAS: 14261-92-8 Formula: C15H11NO3 Molecular Weight: 253.250
    Out of Stock Item #: O1064110
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    IUPAC Name
    3-oxo-2-phenyl-1H-isoindole-4-carboxylic acid
    SMILES
    C1C2=C(C(=CC=C2)C(=O)O)C(=O)N1C3=CC=CC=C3
    InChIKey
    MGTJLBBOVQWHLG-UHFFFAOYSA-N
    InChI
    1S/C15H11NO3/c17-14-13-10(5-4-8-12(13)15(18)19)9-16(14)11-6-2-1-3-7-11/h1-8H,9H2,(H,18,19)
  5. 4-(1,3-Dioxo-1,3-dihydro-isoindol-2-YL)-benzenesulfonamide
    CAS: 4479-70-3 EC Number: 684-432-0 Formula: C14H10N2O4S Molecular Weight: 302.310
    Out of Stock Item #: D984909
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    IUPAC Name
    4-(1,3-dioxoisoindol-2-yl)benzenesulfonamide
    SMILES
    C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC=C(C=C3)S(=O)(=O)N
    InChIKey
    OUGLLSMFRGBCIL-UHFFFAOYSA-N
    InChI
    1S/C14H10N2O4S/c15-21(19,20)10-7-5-9(6-8-10)16-13(17)11-3-1-2-4-12(11)14(16)18/h1-8H,(H2,15,19,20)
  6. Phosmet oxon
    CAS: 3735-33-9 PubChem CID: 77323
    Out of Stock Item #: P1333965
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    IUPAC Name
    2-(dimethoxyphosphorylsulfanylmethyl)isoindole-1,3-dione
    SMILES
    COP(=O)(OC)SCN1C(=O)C2=CC=CC=C2C1=O
    InChIKey
    BEMXOWRVWRNPPL-UHFFFAOYSA-N
    InChI
    1S/C11H12NO5PS/c1-16-18(15,17-2)19-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3
  7. 5-(Aminomethyl)-2-(2,6-dioxopiperidin-3-yl)isoindoline-1,3-dione HCl
    CAS: 1010100-22-7 PubChem CID: 67019706 Formula: C14H14ClN3O4 Molecular Weight: 323.73
    Out of Stock Item #: A980458
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    IUPAC Name
    5-(aminomethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride
    SMILES
    C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C=C(C=C3)CN.Cl
    InChIKey
    ODZXEQVQLJKSQH-UHFFFAOYSA-N
    InChI
    1S/C14H13N3O4.ClH/c15-6-7-1-2-8-9(5-7)14(21)17(13(8)20)10-3-4-11(18)16-12(10)19;/h1-2,5,10H,3-4,6,15H2,(H,16,18,19);1H
  8. 2-(2,6-Dioxopiperidin-3-yl)-5-methylisoindoline-1,3-dione
    CAS: 40313-92-6 Formula: C14H12N2O4 Molecular Weight: 272.26
    Out of Stock Item #: D1238302
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    IUPAC Name
    2-(2,6-dioxopiperidin-3-yl)-5-methylisoindole-1,3-dione
    SMILES
    CC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O
    InChIKey
    FIRKPGPRAMCBHV-UHFFFAOYSA-N
    InChI
    1S/C14H12N2O4/c1-7-2-3-8-9(6-7)14(20)16(13(8)19)10-4-5-11(17)15-12(10)18/h2-3,6,10H,4-5H2,1H3,(H,15,17,18)
  9. 2-(2,6-Dioxopiperidin-3-yl)phthalimidine
    CAS: 26581-81-7 Formula: C13H12N2O3 Molecular Weight: 244.25
    Out of Stock Item #: D1365511
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    IUPAC Name
    3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
    SMILES
    C1CC(=O)NC(=O)C1N2CC3=CC=CC=C3C2=O
    InChIKey
    WENKGSGGXGQHSH-UHFFFAOYSA-N
    InChI
    1S/C13H12N2O3/c16-11-6-5-10(12(17)14-11)15-7-8-3-1-2-4-9(8)13(15)18/h1-4,10H,5-7H2,(H,14,16,17)
  10. 2-(1-oxoisoindolin-2-yl)-2-phenyl-N-(thiazol-2-yl)acetamide
    CAS: 892772-75-7 PubChem CID: 45370166 Formula: C19H15N3O2S Molecular Weight: 349.4
    Out of Stock Item #: O963336
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    Technical Identifiers
    IUPAC Name
    2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
    SMILES
    C1C2=CC=CC=C2C(=O)N1C(C3=CC=CC=C3)C(=O)NC4=NC=CS4
    InChIKey
    PWRVRDCBFYLYFU-UHFFFAOYSA-N
    InChI
    1S/C19H15N3O2S/c23-17(21-19-20-10-11-25-19)16(13-6-2-1-3-7-13)22-12-14-8-4-5-9-15(14)18(22)24/h1-11,16H,12H2,(H,20,21,23)
  11. 2-(1-(Hydroxymethyl)-2,6-dioxopiperidin-3-yl)isoindoline-1,3-dione
    CAS: 145945-21-7 Formula: C14H12N2O5 Molecular Weight: 288.250
    Out of Stock Item #: H978191
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    Technical Identifiers
    IUPAC Name
    2-[1-(hydroxymethyl)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione
    SMILES
    C1CC(=O)N(C(=O)C1N2C(=O)C3=CC=CC=C3C2=O)CO
    InChIKey
    LZHQPJSJEITGHB-UHFFFAOYSA-N
    InChI
    1S/C14H12N2O5/c17-7-15-11(18)6-5-10(14(15)21)16-12(19)8-3-1-2-4-9(8)13(16)20/h1-4,10,17H,5-7H2
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