Carbonylimidazoles

Description:

Substituted imidazoles in which the imidazole ring bears a carbonyl group.

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  1. 2-Mercapto-1-methyl-1H-imidazole-5-carboxylic acid
    CAS: 64038-57-9 Formula: C5H6N2O2S Molecular Weight: 158.18
    Out of Stock Item #: M769294
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    Technical Identifiers
    SMILES
    CN1C(=CNC1=S)C(=O)O
    InChIKey
    LFWHYTJUOBEPMU-UHFFFAOYSA-N
    InChI
    1S/C5H6N2O2S/c1-7-3(4(8)9)2-6-5(7)10/h2H,1H3,(H,6,10)(H,8,9)
  2. 2-(Trifluoromethyl)-1H-imidazole-5-carboxylic acid
    CAS: 78016-98-5 PubChem CID: 12699991 Formula: C5H3F3N2O2 Molecular Weight: 180.086
    Out of Stock Item #: H727039
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    Technical Identifiers
    IUPAC Name
    2-(trifluoromethyl)-1H-imidazole-5-carboxylic acid
    SMILES
    C1=C(NC(=N1)C(F)(F)F)C(=O)O
    InChIKey
    DQPSZGHYQKCZEY-UHFFFAOYSA-N
    InChI
    1S/C5H3F3N2O2/c6-5(7,8)4-9-1-2(10-4)3(11)12/h1H,(H,9,10)(H,11,12)
  3. Imidazo[1,2-b]pyridazine-3-carboxylic acid
    CAS: 1308384-58-8 PubChem CID: 22024514 Formula: C7H5N3O2 Molecular Weight: 163.13
    Out of Stock Item #: I730407
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    Technical Identifiers
    SMILES
    C1=CC2=NC=C(N2N=C1)C(=O)O
    InChIKey
    SGRMUAZFOWNSGE-UHFFFAOYSA-N
    InChI
    1S/C7H5N3O2/c11-7(12)5-4-8-6-2-1-3-9-10(5)6/h1-4H,(H,11,12)
  4. Ethyl 1,4-dimethyl-1H-imidazole-5-carboxylate
    CAS: 35445-32-0 PubChem CID: 12685481 Formula: C8H12N2O2 Molecular Weight: 168.2
    Out of Stock Item #: E727024
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    IUPAC Name
    ethyl 3,5-dimethylimidazole-4-carboxylate
    SMILES
    CCOC(=O)C1=C(N=CN1C)C
    InChIKey
    KJDJAZWOHDBZSZ-UHFFFAOYSA-N
    InChI
    1S/C8H12N2O2/c1-4-12-8(11)7-6(2)9-5-10(7)3/h5H,4H2,1-3H3
  5. Ethyl 1-amino-1H-imidazole-5-carboxylate
    CAS: 1179361-84-2 PubChem CID: 46839655 Formula: C6H9N3O2 Molecular Weight: 155.15
    Out of Stock Item #: E732853
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    Technical Identifiers
    IUPAC Name
    ethyl 3-aminoimidazole-4-carboxylate
    SMILES
    CCOC(=O)C1=CN=CN1N
    InChIKey
    LERIOFHGELUHFG-UHFFFAOYSA-N
    InChI
    1S/C6H9N3O2/c1-2-11-6(10)5-3-8-4-9(5)7/h3-4H,2,7H2,1H3
  6. Ethyl 1-Methylimidazole-5-carboxylate
    CAS: 66787-70-0 PubChem CID: 18914307 Formula: C7H10N2O2 Molecular Weight: 154.17
    Out of Stock Item #: E729427
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    Technical Identifiers
    IUPAC Name
    ethyl 3-methylimidazole-4-carboxylate
    SMILES
    CCOC(=O)C1=CN=CN1C
    InChIKey
    AIPYAGWNEMVIJQ-UHFFFAOYSA-N
    InChI
    1S/C7H10N2O2/c1-3-11-7(10)6-4-8-5-9(6)2/h4-5H,3H2,1-2H3
  7. 7-tert-Butyl 2-ethyl 3-bromo-5,6-dihydroimidazo[1,2-a]pyrazine-2,7(8H)-dicarboxylate
    CAS: 1000576-75-9 PubChem CID: 37818906 Formula: C14H20BrN3O4 Molecular Weight: 374.23
    Out of Stock Item #: T731784
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    Technical Identifiers
    IUPAC Name
    7-O-tert-butyl 2-O-ethyl 3-bromo-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2,7-dicarboxylate
    SMILES
    CCOC(=O)C1=C(N2CCN(CC2=N1)C(=O)OC(C)(C)C)Br
    InChIKey
    NYSOBEDMCSUCQS-UHFFFAOYSA-N
    InChI
    1S/C14H20BrN3O4/c1-5-21-12(19)10-11(15)18-7-6-17(8-9(18)16-10)13(20)22-14(2,3)4/h5-8H2,1-4H3
  8. 6,8-Dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carbaldehyde
    CAS: 623564-42-1 PubChem CID: 21941356 Formula: C7H8N2O2 Molecular Weight: 152.15
    Out of Stock Item #: D730310
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    Technical Identifiers
    IUPAC Name
    6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carbaldehyde
    SMILES
    C1COCC2=NC(=CN21)C=O
    InChIKey
    BQGZMWAWDNEWGS-UHFFFAOYSA-N
    InChI
    1S/C7H8N2O2/c10-4-6-3-9-1-2-11-5-7(9)8-6/h3-4H,1-2,5H2
  9. 6,8-Dihydro-5H-imidazo[2,1-c][1,4]oxazine-3-carbaldehyde
    CAS: 623564-43-2 PubChem CID: 21941411 Formula: C7H8N2O2 Molecular Weight: 152.15
    Out of Stock Item #: D730312
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    Technical Identifiers
    IUPAC Name
    6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-3-carbaldehyde
    SMILES
    C1COCC2=NC=C(N21)C=O
    InChIKey
    WHPNSFZQTFODCZ-UHFFFAOYSA-N
    InChI
    1S/C7H8N2O2/c10-4-6-3-8-7-5-11-2-1-9(6)7/h3-4H,1-2,5H2
  10. 5-Bromo-1H-imidazole-4-carbaldehyde
    CAS: 50743-01-6 PubChem CID: 53434629 Formula: C4H3BrN2O Molecular Weight: 174.98
    Out of Stock Item #: B733668
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    Technical Identifiers
    IUPAC Name
    5-bromo-1H-imidazole-4-carbaldehyde
    SMILES
    C1=NC(=C(N1)Br)C=O
    InChIKey
    WSKUPAMDYXOQRC-UHFFFAOYSA-N
    InChI
    1S/C4H3BrN2O/c5-4-3(1-8)6-2-7-4/h1-2H,(H,6,7)
  11. 2-Hydroxy-1-methyl-1H-imidazole-5-carboxylic acid
    CAS: 17245-60-2 PubChem CID: 45480052 Formula: C5H6N2O3 Molecular Weight: 142.12
    Out of Stock Item #: H732499
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    Technical Identifiers
    IUPAC Name
    3-methyl-2-oxo-1H-imidazole-4-carboxylic acid
    SMILES
    CN1C(=CNC1=O)C(=O)O
    InChIKey
    PGJUXVGLUCTBMN-UHFFFAOYSA-N
    InChI
    1S/C5H6N2O3/c1-7-3(4(8)9)2-6-5(7)10/h2H,1H3,(H,6,10)(H,8,9)
  12. 1-Ethyl-1H-imidazole-5-carboxylic acid
    CAS: 71925-11-6 PubChem CID: 14344424 Formula: C6H8N2O2 Molecular Weight: 140.14
    Solid ≥95%
    Out of Stock Item #: E727906
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    Technical Identifiers
    IUPAC Name
    3-ethylimidazole-4-carboxylic acid
    SMILES
    CCN1C=NC=C1C(=O)O
    InChIKey
    QXDVIFCTZBKLMY-UHFFFAOYSA-N
    InChI
    1S/C6H8N2O2/c1-2-8-4-7-3-5(8)6(9)10/h3-4H,2H2,1H3,(H,9,10)
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