Imidazolyl carboxylic acids and derivatives

Description:

Organic compounds containing a carboxylic acid chain (of at least 2 carbon atoms) linked to an imidazole ring.

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  1. 2-(1-methyl-1H-imidazol-5-yl)acetic acid hydrochloride
    CAS: 1071661-55-6 PubChem CID: 69892609 Formula: C6H8N2O2•HCl Molecular Weight: 176.6
    Out of Stock Item #: M1317318
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    Technical Identifiers
    IUPAC Name
    2-(3-methylimidazol-4-yl)acetic acid;hydrochloride
    SMILES
    CN1C=NC=C1CC(=O)O.Cl
    InChIKey
    BMKRZGIAUKYDQE-UHFFFAOYSA-N
    InChI
    1S/C6H8N2O2.ClH/c1-8-4-7-3-5(8)2-6(9)10;/h3-4H,2H2,1H3,(H,9,10);1H
  2. Ethyl 3-(1H-imidazol-2-yl)propanoate
    CAS: 172499-76-2 PubChem CID: 22259341 Formula: C8H12N2O2 Molecular Weight: 168.19
    Solid ≥98%
    Out of Stock Item #: E770723
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    Technical Identifiers
    IUPAC Name
    ethyl 3-(1H-imidazol-2-yl)propanoate
    SMILES
    CCOC(=O)CCC1=NC=CN1
    InChIKey
    KQIXNQRMDCPWIH-UHFFFAOYSA-N
    InChI
    1S/C8H12N2O2/c1-2-12-8(11)4-3-7-9-5-6-10-7/h5-6H,2-4H2,1H3,(H,9,10)
  3. 3-(1H-IMidazol-2-yl)propanoic acid hydrochloride
    CAS: 1208078-18-5 EC Number: 817-530-0 PubChem CID: 50998247
    Out of Stock Item #: P770713
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    IUPAC Name
    3-(1H-imidazol-2-yl)propanoic acid;hydrochloride
    SMILES
    C1=CN=C(N1)CCC(=O)O.Cl
    InChIKey
    FNFOMFMVOHBKHO-UHFFFAOYSA-N
    InChI
    1S/C6H8N2O2.ClH/c9-6(10)2-1-5-7-3-4-8-5;/h3-4H,1-2H2,(H,7,8)(H,9,10);1H
  4. 1H-Imidazole-2-acetic acid, α-methyl-
    CAS: 1492007-00-7 Formula: C6H8N2O2 Molecular Weight: 140.1399
    Out of Stock Item #: H769572
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    Technical Identifiers
    SMILES
    CC(C1=NC=CN1)C(=O)O
    InChIKey
    AJDNKVINGDHHEY-UHFFFAOYSA-N
    InChI
    1S/C6H8N2O2/c1-4(6(9)10)5-7-2-3-8-5/h2-4H,1H3,(H,7,8)(H,9,10)
  5. Ethyl 3-(1H-imidazol-1-yl)propanoate
    CAS: 24215-02-9 EC Number: 989-337-0 Formula: C8H12N2O2 Molecular Weight: 168.19
    Liquid ≥95%
    Out of Stock Item #: E726359
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    Technical Identifiers
    IUPAC Name
    ethyl 3-imidazol-1-ylpropanoate
    SMILES
    CCOC(=O)CCN1C=CN=C1
    InChIKey
    KKKUPBGJXHDOFE-UHFFFAOYSA-N
    InChI
    1S/C8H12N2O2/c1-2-12-8(11)3-5-10-6-4-9-7-10/h4,6-7H,2-3,5H2,1H3
  6. 3-(1H-Imidazol-2-yl)propanoic acid
    CAS: 178388-79-9 PubChem CID: 18320517 Formula: C6H8N2O2 Molecular Weight: 140.14
    Solid ≥95%
    In Stock Item #: P729180
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    Technical Identifiers
    IUPAC Name
    3-(1H-imidazol-2-yl)propanoic acid
    SMILES
    C1=CN=C(N1)CCC(=O)O
    InChIKey
    LOESLMDNPQYFOG-UHFFFAOYSA-N
    InChI
    1S/C6H8N2O2/c9-6(10)2-1-5-7-3-4-8-5/h3-4H,1-2H2,(H,7,8)(H,9,10)
    Synonyms
    1H-Imidazole-2-propanoic acid | 3-(1H-Imidazol-2-yl)-propionic acid | 3-(2-imidazolyl)propionic acid
  7. 2-(1H-Imidazol-2-yl)acetic acid
    CAS: 189502-92-9 PubChem CID: 17935379 Formula: C5H6N2O2 Molecular Weight: 126.11
    Out of Stock Item #: A729112
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    Technical Identifiers
    IUPAC Name
    2-(1H-imidazol-2-yl)acetic acid
    SMILES
    C1=CN=C(N1)CC(=O)O
    InChIKey
    WUJUYHMGDPTLMG-UHFFFAOYSA-N
    InChI
    1S/C5H6N2O2/c8-5(9)3-4-6-1-2-7-4/h1-2H,3H2,(H,6,7)(H,8,9)
  8. 3-[2-(propan-2-yl)-1H-imidazol-1-yl]propanoic acid
    CAS: 462068-54-8 PubChem CID: 747640 Formula: C9H14N2O2 Molecular Weight: 182.22
    Out of Stock Item #: P698971
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    Technical Identifiers
    IUPAC Name
    3-(2-propan-2-ylimidazol-1-yl)propanoic acid
    SMILES
    CC(C)C1=NC=CN1CCC(=O)O
    InChIKey
    CCERZQAOAPQXRS-UHFFFAOYSA-N
    InChI
    1S/C9H14N2O2/c1-7(2)9-10-4-6-11(9)5-3-8(12)13/h4,6-7H,3,5H2,1-2H3,(H,12,13)
  9. 3-(2-Ethyl-1h-imidazol-1-yl)propanoic acid
    CAS: 856437-78-0 Formula: C8H12N2O2 Molecular Weight: 168.19
    Solid ≥95%
    Out of Stock Item #: P698157
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    Technical Identifiers
    IUPAC Name
    3-(2-ethylimidazol-1-yl)propanoic acid
    SMILES
    CCC1=NC=CN1CCC(=O)O
    InChIKey
    OFSBWDCMIJCCSM-UHFFFAOYSA-N
    InChI
    1S/C8H12N2O2/c1-2-7-9-4-6-10(7)5-3-8(11)12/h4,6H,2-3,5H2,1H3,(H,11,12)
  10. tert-butyl 3-(1H-imidazol-2-yl)azetidine-1-carboxylate
    CAS: 1234710-02-1 PubChem CID: 58494519 Formula: C11H17N3O2 Molecular Weight: 223.27
    Out of Stock Item #: T683003
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    IUPAC Name
    tert-butyl 3-(1H-imidazol-2-yl)azetidine-1-carboxylate
    SMILES
    CC(C)(C)OC(=O)N1CC(C1)C2=NC=CN2
    InChIKey
    MYJQGRRBPAEGGW-UHFFFAOYSA-N
    InChI
    1S/C11H17N3O2/c1-11(2,3)16-10(15)14-6-8(7-14)9-12-4-5-13-9/h4-5,8H,6-7H2,1-3H3,(H,12,13)
  11. ethyl 2-(1-methylimidazol-4-yl)acetate
    CAS: 916792-95-5 PubChem CID: 77134384 Formula: C8H12N2O2 Molecular Weight: 168.19
    Out of Stock Item #: E682263
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    Technical Identifiers
    IUPAC Name
    ethyl 2-(1-methylimidazol-4-yl)acetate
    SMILES
    CCOC(=O)CC1=CN(C=N1)C
    InChIKey
    ZWILSHXSICOQDH-UHFFFAOYSA-N
    InChI
    1S/C8H12N2O2/c1-3-12-8(11)4-7-5-10(2)6-9-7/h5-6H,3-4H2,1-2H3
  12. Imitrodast
    CAS: 114686-12-3 PubChem CID: 65922 Formula: C13H12N2O2S Molecular Weight: 260.31
    Out of Stock Item #: I667935
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    Technical Identifiers
    IUPAC Name
    2-(imidazol-1-ylmethyl)-4,5-dihydro-1-benzothiophene-6-carboxylic acid
    SMILES
    C1CC2=C(C=C1C(=O)O)SC(=C2)CN3C=CN=C3
    InChIKey
    KRBSZXUPPSXPAN-UHFFFAOYSA-N
    InChI
    1S/C13H12N2O2S/c16-13(17)10-2-1-9-5-11(18-12(9)6-10)7-15-4-3-14-8-15/h3-6,8H,1-2,7H2,(H,16,17)
    Synonyms
    Imitrodast | Imitrodast [INN] | 2-(imidazol-1-ylmethyl)-4,5-dihydro-1-benzothiophene-6-carboxylic acid | JCQ5G1KFHN |...
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