1,2,4-trisubstituted imidazoles

Description:

Imidazoles in which the imidazole ring is substituted at positions 1, 2, and 3.

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  1. 4-Bromo-1-methylimidazole-2-carbaldehyde
    CAS: 79326-91-3 Formula: C5H5BrN2O Molecular Weight: 189.01
    Out of Stock Item #: B768763
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    Technical Identifiers
    SMILES
    CN1C=C(N=C1C=O)Br
    InChIKey
    AKEVNYPMPMIJPW-UHFFFAOYSA-N
    InChI
    1S/C5H5BrN2O/c1-8-2-4(6)7-5(8)3-9/h2-3H,1H3
  2. 2-Bromo-1-methyl-1H-imidazole-4-carboxylic acid
    CAS: 852181-03-4 PubChem CID: 51063808 Formula: C5H5BrN2O2 Molecular Weight: 205.01
    Out of Stock Item #: B733117
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    IUPAC Name
    2-bromo-1-methylimidazole-4-carboxylic acid
    SMILES
    CN1C=C(N=C1Br)C(=O)O
    InChIKey
    DYHJNZNZJCTGGW-UHFFFAOYSA-N
    InChI
    1S/C5H5BrN2O2/c1-8-2-3(4(9)10)7-5(8)6/h2H,1H3,(H,9,10)
  3. Ethyl 4-((tert-butoxycarbonyl)amino)-1-methyl-1H-imidazole-2-carboxylate
    CAS: 128293-63-0 PubChem CID: 14488320 Formula: C12H19N3O4 Molecular Weight: 269.3
    Out of Stock Item #: E727957
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    IUPAC Name
    ethyl 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazole-2-carboxylate
    SMILES
    CCOC(=O)C1=NC(=CN1C)NC(=O)OC(C)(C)C
    InChIKey
    VKDFVUFMCCONBE-UHFFFAOYSA-N
    InChI
    1S/C12H19N3O4/c1-6-18-10(16)9-13-8(7-15(9)5)14-11(17)19-12(2,3)4/h7H,6H2,1-5H3,(H,14,17)
  4. 4-((tert-Butoxycarbonyl)amino)-1-methyl-1H-imidazole-2-carboxylic acid
    CAS: 128293-64-1 PubChem CID: 2757226 Formula: C10H15N3O4
    Out of Stock Item #: A700263
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    Technical Identifiers
    IUPAC Name
    1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazole-2-carboxylic acid
    SMILES
    CC(C)(C)OC(=O)NC1=CN(C(=N1)C(=O)O)C
    InChIKey
    GZBSJWBQXNCOFP-UHFFFAOYSA-N
    InChI
    1S/C10H15N3O4/c1-10(2,3)17-9(16)12-6-5-13(4)7(11-6)8(14)15/h5H,1-4H3,(H,12,16)(H,14,15)
  5. ethyl 4-bromo-1-methyl-imidazole-2-carboxylate
    CAS: 1260672-33-0 PubChem CID: 58326683 Formula: C7H9BrN2O2 Molecular Weight: 233.06
    Out of Stock Item #: E680085
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    Technical Identifiers
    IUPAC Name
    ethyl 4-bromo-1-methylimidazole-2-carboxylate
    SMILES
    CCOC(=O)C1=NC(=CN1C)Br
    InChIKey
    CWCKOQOIVGTJNM-UHFFFAOYSA-N
    InChI
    1S/C7H9BrN2O2/c1-3-12-7(11)6-9-5(8)4-10(6)2/h4H,3H2,1-2H3
  6. ethyl 4-cyano-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylate
    CAS: 854044-52-3 PubChem CID: 67188254 Formula: C13H21N3O3Si Molecular Weight: 295.41
    Out of Stock Item #: E634690
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    Technical Identifiers
    IUPAC Name
    ethyl 4-cyano-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylate
    SMILES
    CCOC(=O)C1=NC(=CN1COCC[Si](C)(C)C)C#N
    InChIKey
    RQMDFPGLTPLVTH-UHFFFAOYSA-N
    InChI
    1S/C13H21N3O3Si/c1-5-19-13(17)12-15-11(8-14)9-16(12)10-18-6-7-20(2,3)4/h9H,5-7,10H2,1-4H3
    Synonyms
    854044-52-3 | Ethyl 4-cyano-1-((2-(trimethylsilyl)ethoxy)-methyl)-1H-imidazole-2-carboxylate | ethyl 4-cyano-1-((2-(t...
  7. dimethyl 1-methylimidazole-2,4-dicarboxylate
    CAS: 84198-72-1 PubChem CID: 12791928 Formula: C8H10N2O4 Molecular Weight: 198.18
    Out of Stock Item #: D634640
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    Technical Identifiers
    IUPAC Name
    dimethyl 1-methylimidazole-2,4-dicarboxylate
    SMILES
    CN1C=C(N=C1C(=O)OC)C(=O)OC
    InChIKey
    JDFPZBAIRVXQKW-UHFFFAOYSA-N
    InChI
    1S/C8H10N2O4/c1-10-4-5(7(11)13-2)9-6(10)8(12)14-3/h4H,1-3H3
    Synonyms
    D79404 | DTXSID30509995 | Dimethyl 1-methyl-1H-imidazole-2,4-dicarboxylate | SB73950 | dimethyl 1-methylimidazole-2,4...
  8. 2-Bromo-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-imidazole-4-carbonitrile
    CAS: 854044-51-2 Formula: C10H16BrN3OSi Molecular Weight: 302.24
    Out of Stock Item #: B590352
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    Technical Identifiers
    IUPAC Name
    2-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-4-carbonitrile
    SMILES
    C[Si](C)(C)CCOCN1C=C(N=C1Br)C#N
    InChIKey
    XDLFZSWZSHTGJY-UHFFFAOYSA-N
    InChI
    1S/C10H16BrN3OSi/c1-16(2,3)5-4-15-8-14-7-9(6-12)13-10(14)11/h7H,4-5,8H2,1-3H3
  9. Methyl 4-bromo-1-methyl-1H-imidazole-2-carboxylate
    CAS: 864076-05-1 Formula: C6H7N2O2Br Molecular Weight: 219.04
    In Stock Item #: M590397
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    Technical Identifiers
    IUPAC Name
    methyl 4-bromo-1-methylimidazole-2-carboxylate
    SMILES
    CN1C=C(N=C1C(=O)OC)Br
    InChIKey
    ROEZBNMDDJUDSC-UHFFFAOYSA-N
    InChI
    1S/C6H7BrN2O2/c1-9-3-4(7)8-5(9)6(10)11-2/h3H,1-2H3
    Synonyms
    AKOS015900674 | AMY19340 | J-522316 | ROEZBNMDDJUDSC-UHFFFAOYSA-N | MFCD13189816 | DTXSID50693360 | Methyl 4-bromo-1-...
  10. 1-(2-Cyanoethyl)-2-ethyl-4-methylimidazole (contains 5-methyl isomer)
    CAS: 23996-25-0 EC Number: 245-975-5 Formula: C9H13N3 Molecular Weight: 163.22
    Liquid ≥70%(GC)
    In Stock Item #: C133754
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    IUPAC Name
    3-(2-ethyl-4-methylimidazol-1-yl)propanenitrile
    SMILES
    CCC1=NC(=CN1CCC#N)C
    InChIKey
    UIDDPPKZYZTEGS-UHFFFAOYSA-N
    InChI
    1S/C9H13N3/c1-3-9-11-8(2)7-12(9)6-4-5-10/h7H,3-4,6H2,1-2H3
    Synonyms
    3-(2-Ethyl-4-methyl-1H-imidazol-1-yl)propanenitrile;3-(2-Ethyl-4-methyl-1H-imidazol-1-yl)propanenitrile | AKOS0159605...
  11. 1,2-Dimethylimidazole-4-sulfonyl chloride
    CAS: 137049-02-6 Formula: C5H7ClN2O2S Molecular Weight: 194.641
    In Stock Item #: D167114
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    Technical Identifiers
    IUPAC Name
    1,2-dimethylimidazole-4-sulfonyl chloride
    SMILES
    CC1=NC(=CN1C)S(=O)(=O)Cl
    InChIKey
    JPAFTHVNSBWVQJ-UHFFFAOYSA-N
    InChI
    1S/C5H7ClN2O2S/c1-4-7-5(3-8(4)2)11(6,9)10/h3H,1-2H3
    Synonyms
    BP-10975 | 1,2-dimethylimidazole-4-sulphonyl chloride | EN300-58948 | SCHEMBL388492 | 1,2-dimethyl-1h-imidazole-4-sul...
  12. 2-Bromo-1,4-dimethyl-1H-imidazole
    CAS: 235426-30-9 Formula: C5H7BrN2 Molecular Weight: 175
    Out of Stock Item #: B183048
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    Technical Identifiers
    IUPAC Name
    2-bromo-1,4-dimethylimidazole
    SMILES
    CC1=CN(C(=N1)Br)C
    InChIKey
    JKVMBWITGAWCIG-UHFFFAOYSA-N
    InChI
    1S/C5H7BrN2/c1-4-3-8(2)5(6)7-4/h3H,1-2H3
    Synonyms
    Q-103103 | 2-bromo-1,4-dimethylimidazole | 2-bromo-1,4-dimethyl-imidazole | JKVMBWITGAWCIG-UHFFFAOYSA-N | AB26588 | D...
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