Indole-3-acetic acid derivatives

Description:

Compounds containing an acetic acid (or a derivative) linked to the C3 carbon atom of an indole.

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  1. 2-(7-Chloro-1H-indol-3-yl)acetic acid
    CAS: 1912-41-0 EC Number: 873-541-0 PubChem CID: 3083739 Formula: C10H8ClNO2 Molecular Weight: 209.63
    Solid ≥95%
    Out of Stock Item #: A708501
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    Technical Identifiers
    IUPAC Name
    2-(7-chloro-1H-indol-3-yl)acetic acid
    SMILES
    C1=CC2=C(C(=C1)Cl)NC=C2CC(=O)O
    InChIKey
    IFOAZUXPPBRTBS-UHFFFAOYSA-N
    InChI
    1S/C10H8ClNO2/c11-8-3-1-2-7-6(4-9(13)14)5-12-10(7)8/h1-3,5,12H,4H2,(H,13,14)
    Synonyms
    7-Chloroindole-3-acetic acid | 7-Chloroindole-3-acetic acid
  2. 2-(5-(Trifluoromethyl)-1H-indol-3-yl)acetic acid
    CAS: 378802-40-5 PubChem CID: 22490726
    Out of Stock Item #: H730751
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    IUPAC Name
    2-[5-(trifluoromethyl)-1H-indol-3-yl]acetic acid
    SMILES
    C1=CC2=C(C=C1C(F)(F)F)C(=CN2)CC(=O)O
    InChIKey
    JSNULZACNINBHS-UHFFFAOYSA-N
    InChI
    1S/C11H8F3NO2/c12-11(13,14)7-1-2-9-8(4-7)6(5-15-9)3-10(16)17/h1-2,4-5,15H,3H2,(H,16,17)
  3. 2-(1-(tert-butoxycarbonyl)-1H-indol-3-yl)acetic acid
    CAS: 128550-08-3 PubChem CID: 10934666 Formula: C15H17NO4 Molecular Weight: 275.3
    Out of Stock Item #: H725252
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    IUPAC Name
    2-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]acetic acid
    SMILES
    CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)CC(=O)O
    InChIKey
    VRZTWLIBIMXVMR-UHFFFAOYSA-N
    InChI
    1S/C15H17NO4/c1-15(2,3)20-14(19)16-9-10(8-13(17)18)11-6-4-5-7-12(11)16/h4-7,9H,8H2,1-3H3,(H,17,18)
  4. Methyl 2-(5-chloro-1H-indol-3-yl)acetate
    CAS: 74339-45-0 PubChem CID: 72183118 Formula: C11H10ClNO2 Molecular Weight: 223.65
    Out of Stock Item #: M735045
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    IUPAC Name
    methyl 2-(5-chloro-1H-indol-3-yl)acetate
    SMILES
    COC(=O)CC1=CNC2=C1C=C(C=C2)Cl
    InChIKey
    QLTNJBDKTUWQFP-UHFFFAOYSA-N
    InChI
    1S/C11H10ClNO2/c1-15-11(14)4-7-6-13-10-3-2-8(12)5-9(7)10/h2-3,5-6,13H,4H2,1H3
  5. Ethyl 2-(5-chloro-2-methyl-1H-indol-3-yl)acetate
    CAS: 3446-72-8 PubChem CID: 11601269 Formula: C13H14ClNO2 Molecular Weight: 251.71
    Out of Stock Item #: E726140
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    Technical Identifiers
    IUPAC Name
    ethyl 2-(5-chloro-2-methyl-1H-indol-3-yl)acetate
    SMILES
    CCOC(=O)CC1=C(NC2=C1C=C(C=C2)Cl)C
    InChIKey
    BEIZRBAYMLMWPP-UHFFFAOYSA-N
    InChI
    1S/C13H14ClNO2/c1-3-17-13(16)7-10-8(2)15-12-5-4-9(14)6-11(10)12/h4-6,15H,3,7H2,1-2H3
  6. Ethyl 2-(5-bromo-2-methyl-1H-indol-3-yl)acetate
    CAS: 72016-68-3 PubChem CID: 10780239 Formula: C13H14BrNO2 Molecular Weight: 296.16
    Out of Stock Item #: E725051
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    Technical Identifiers
    IUPAC Name
    ethyl 2-(5-bromo-2-methyl-1H-indol-3-yl)acetate
    SMILES
    CCOC(=O)CC1=C(NC2=C1C=C(C=C2)Br)C
    InChIKey
    GNAIWTYKMSIQQR-UHFFFAOYSA-N
    InChI
    1S/C13H14BrNO2/c1-3-17-13(16)7-10-8(2)15-12-5-4-9(14)6-11(10)12/h4-6,15H,3,7H2,1-2H3
  7. 2-(4-Methyl-1H-indol-3-yl)acetic acid
    CAS: 52531-22-3 PubChem CID: 22490432 Formula: C11H11NO2 Molecular Weight: 189.21
    Out of Stock Item #: A730750
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    Technical Identifiers
    IUPAC Name
    2-(4-methyl-1H-indol-3-yl)acetic acid
    SMILES
    CC1=C2C(=CC=C1)NC=C2CC(=O)O
    InChIKey
    HCJHZUYDCZGMHA-UHFFFAOYSA-N
    InChI
    1S/C11H11NO2/c1-7-3-2-4-9-11(7)8(6-12-9)5-10(13)14/h2-4,6,12H,5H2,1H3,(H,13,14)
  8. 3-(Carboxymethyl)-1H-indole-2-carboxylic acid
    CAS: 31529-27-8 PubChem CID: 672547 Formula: C11H9NO4 Molecular Weight: 219.2
    Out of Stock Item #: H698659
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    Technical Identifiers
    IUPAC Name
    3-(carboxymethyl)-1H-indole-2-carboxylic acid
    SMILES
    C1=CC=C2C(=C1)C(=C(N2)C(=O)O)CC(=O)O
    InChIKey
    CRMJDDJAUJZUDJ-UHFFFAOYSA-N
    InChI
    1S/C11H9NO4/c13-9(14)5-7-6-3-1-2-4-8(6)12-10(7)11(15)16/h1-4,12H,5H2,(H,13,14)(H,15,16)
  9. tert-Butyl 3-(2-methoxy-2-oxoethyl)-1H-indole-1-carboxylate
    CAS: 370562-34-8 PubChem CID: 16748405 Formula: C16H19NO4 Molecular Weight: 289.33
    Out of Stock Item #: T692471
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    IUPAC Name
    tert-butyl 3-(2-methoxy-2-oxoethyl)indole-1-carboxylate
    SMILES
    CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)CC(=O)OC
    InChIKey
    LGSVMEMKGVXHLI-UHFFFAOYSA-N
    InChI
    1S/C16H19NO4/c1-16(2,3)21-15(19)17-10-11(9-14(18)20-4)12-7-5-6-8-13(12)17/h5-8,10H,9H2,1-4H3
  10. Methyl 2-(6-bromo-1H-indol-3-yl)acetate
    CAS: 152213-63-3 PubChem CID: 11644701 Formula: C11H10BrNO2 Molecular Weight: 268.11
    Out of Stock Item #: M692587
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    Technical Identifiers
    IUPAC Name
    methyl 2-(6-bromo-1H-indol-3-yl)acetate
    SMILES
    COC(=O)CC1=CNC2=C1C=CC(=C2)Br
    InChIKey
    BMFSVEXJEHZDHD-UHFFFAOYSA-N
    InChI
    1S/C11H10BrNO2/c1-15-11(14)4-7-6-13-10-5-8(12)2-3-9(7)10/h2-3,5-6,13H,4H2,1H3
  11. 2-[1-(3-Chlorobenzyl)-1H-indol-3-yl]acetic acid
    CAS: 339016-33-0 PubChem CID: 2764268 Formula: C17H14ClNO2 Molecular Weight: 299.76
    Out of Stock Item #: A700617
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    Technical Identifiers
    IUPAC Name
    2-[1-[(3-chlorophenyl)methyl]indol-3-yl]acetic acid
    SMILES
    C1=CC=C2C(=C1)C(=CN2CC3=CC(=CC=C3)Cl)CC(=O)O
    InChIKey
    BMZCMTIGPMYJKO-UHFFFAOYSA-N
    InChI
    1S/C17H14ClNO2/c18-14-5-3-4-12(8-14)10-19-11-13(9-17(20)21)15-6-1-2-7-16(15)19/h1-8,11H,9-10H2,(H,20,21)
  12. 2-(5-Chloro-1H-indol-3-yl)acetic acid
    CAS: 1912-45-4 EC Number: 833-972-7 PubChem CID: 150949 Formula: C10H8ClNO2 Molecular Weight: 209.63
    Solid ≥98%
    Out of Stock Item #: A695962
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    Technical Identifiers
    IUPAC Name
    2-(5-chloro-1H-indol-3-yl)acetic acid
    SMILES
    C1=CC2=C(C=C1Cl)C(=CN2)CC(=O)O
    InChIKey
    ZEIRLSDFVXNFGG-UHFFFAOYSA-N
    InChI
    1S/C10H8ClNO2/c11-7-1-2-9-8(4-7)6(5-12-9)3-10(13)14/h1-2,4-5,12H,3H2,(H,13,14)
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