Indolecarboxylic acids and derivatives

Description:

Compounds containing a carboxylic acid group (or a derivative thereof) linked to an indole.

Ancestors:

Organic compounds ⮕ Organoheterocyclic compounds ⮕ Indoles and derivatives ⮕ Indolecarboxylic acids and derivatives

Ethyl 5-fluoro-7-nitro-1H-indole-2-carboxylate
- ≥97%
Cas Number: 913287-12-4 Compound CID: 58364515

Formula: C₁₁H₉FN₂O₄ Molecular Weight: 252.2

IUPAC Name: ethyl 5-fluoro-7-nitro-1H-indole-2-carboxylate

SMILES: CCOC(=O)C1=CC2=CC(=CC(=C2N1)[N+](=O)[O-])F

InChIKey: OXZLIZKJTGLEPV-UHFFFAOYSA-N

InChI: InChI=1S/C11H9FN2O4/c1-2-18-11(15)8-4-6-3-7(12)5-9(14(16)17)10(6)13-8/h3-5,13H,2H2,1H3
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Deleobuvir (BI-207127)
- ≥95%
Cas Number: 863884-77-9 Compound CID: 56948249

Formula: C₃₄H₃₃BrN₆O₃ Molecular Weight: 653.6

IUPAC Name: (E)-3-[2-[1-[[2-(5-bromopyrimidin-2-yl)-3-cyclopentyl-1-methylindole-6-carbonyl]amino]cyclobutyl]-3-methylbenzimidazol-5-yl]prop-2-enoic acid

SMILES: CN1C2=C(C=CC(=C2)C(=O)NC3(CCC3)C4=NC5=C(N4C)C=C(C=C5)C=CC(=O)O)C(=C1C6=NC=C(C=N6)Br)C7CCCC7

InChIKey: BMAIGAHXAJEULY-UKTHLTGXSA-N

InChI: InChI=1S/C34H33BrN6O3/c1-40-26-17-22(10-11-24(26)29(21-6-3-4-7-21)30(40)31-36-18-23(35)19-37-31)32(44)39-34(14-5-15-34)33-38-25-12-8-20(9-13-28(42)43)show more
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4，5-DIFLUORO-1H-INDOLE-2-CARBOXYLIC ACID
- ≥97%
Cas Number: 884494-61-5

Formula: C₉H₅F₂NO₂ Molecular Weight: 197.1383

SMILES: C1=CC(=C(C2=C1NC(=C2)C(=O)O)F)F

InChIKey: VPFXCRBXBVXTFK-UHFFFAOYSA-N

InChI: InChI=1S/C9H5F2NO2/c10-5-1-2-6-4(8(5)11)3-7(12-6)9(13)14/h1-3,12H,(H,13,14)
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Indoline-2-carboxamide
- ≥98%
Cas Number: 108906-13-4 Compound CID: 13937810

Formula: C₉H₁₀N₂O Molecular Weight: 162.18

IUPAC Name: 2,3-dihydro-1H-indole-2-carboxamide

SMILES: C1C(NC2=CC=CC=C21)C(=O)N

InChIKey: ATEDHUGCKSZDCP-UHFFFAOYSA-N

InChI: InChI=1S/C9H10N2O/c10-9(12)8-5-6-3-1-2-4-7(6)11-8/h1-4,8,11H,5H2,(H2,10,12)
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6，7-DICHLORO-1H-INDOLE-2-CARBOXYLIC ACID
- ≥95%
Cas Number: 383132-13-6 Compound CID: 4017669

Formula: C₉H₅Cl₂NO₂ Molecular Weight: 230.05

IUPAC Name: 6,7-dichloro-1H-indole-2-carboxylic acid

SMILES: C1=CC(=C(C2=C1C=C(N2)C(=O)O)Cl)Cl

InChIKey: TUXCSCQQWQOWDU-UHFFFAOYSA-N

InChI: InChI=1S/C9H5Cl2NO2/c10-5-2-1-4-3-6(9(13)14)12-8(4)7(5)11/h1-3,12H,(H,13,14)
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5-fluoro PB-22 3-carboxyindole metabolite
- ≥98%
Cas Number: 1432794-98-3 Compound CID: 86346291

Formula: C₁₄H₁₆FNO₂ Molecular Weight: 249.29

IUPAC Name: 1-(5-fluoropentyl)indole-3-carboxylic acid

SMILES: C1=CC=C2C(=C1)C(=CN2CCCCCF)C(=O)O

InChIKey: DYLIZXRQZRUDLA-UHFFFAOYSA-N

InChI: InChI=1S/C14H16FNO2/c15-8-4-1-5-9-16-10-12(14(17)18)11-6-2-3-7-13(11)16/h2-3,6-7,10H,1,4-5,8-9H2,(H,17,18)
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1H-Indole-2-carboxylic acid， 6-chloro-3-formyl-， ethyl ester
- ≥95%
Cas Number: 586336-88-1

Formula: C₁₂H₁₀ClNO₃ Molecular Weight: 251.6657

SMILES: CCOC(=O)C1=C(C2=C(N1)C=C(C=C2)Cl)C=O

InChIKey: LNYTWZZBBGPYKG-UHFFFAOYSA-N

InChI: InChI=1S/C12H10ClNO3/c1-2-17-12(16)11-9(6-15)8-4-3-7(13)5-10(8)14-11/h3-6,14H,2H2,1H3
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(1-(tert-Butoxycarbonyl)-1H-indol-4-yl)boronic acid
- ≥95%
Cas Number: 2102451-30-7 Compound CID: 86280337

Formula: C₁₃H₁₆BNO₄ Molecular Weight: 261.079

IUPAC Name: [1-[(2-methylpropan-2-yl)oxycarbonyl]indol-4-yl]boronic acid

SMILES: B(C1=C2C=CN(C2=CC=C1)C(=O)OC(C)(C)C)(O)O

InChIKey: JFCFJRCULIWLNL-UHFFFAOYSA-N

InChI: InChI=1S/C13H16BNO4/c1-13(2,3)19-12(16)15-8-7-9-10(14(17)18)5-4-6-11(9)15/h4-8,17-18H,1-3H3
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SB269652
- ≥98%
Cas Number: 215802-15-6 Compound CID: 9910352

Formula: C₂₇H₃₀N₄O Molecular Weight: 426.55

IUPAC Name: N-[4-[2-(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-1H-indole-2-carboxamide

SMILES: C1CC(CCC1CCN2CCC3=C(C2)C=C(C=C3)C#N)NC(=O)C4=CC5=CC=CC=C5N4

InChIKey: JGLGOAQPUQITLD-UHFFFAOYSA-N

InChI: InChI=1S/C27H30N4O/c28-17-20-5-8-21-12-14-31(18-23(21)15-20)13-11-19-6-9-24(10-7-19)29-27(32)26-16-22-3-1-2-4-25(22)30-26/h1-5,8,15-16,19,24,30H,6-7,9show more
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Indole-2-carboxylic Acid
- ≥96%
Cas Number: 1477-50-5 EC Number: 216-030-4

Formula: C₉H₇NO₂ Molecular Weight: 161.16

IUPAC Name: 1H-indole-2-carboxylic acid

SMILES: C1=CC=C2C(=C1)C=C(N2)C(=O)O

InChIKey: HCUARRIEZVDMPT-UHFFFAOYSA-N

InChI: InChI=1S/C9H7NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h1-5,10H,(H,11,12)

Synonyms: 2-Carboxyindole | 2-Indolylformic acid, NSC 16598
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Methyl 6-bromo-1H-indole-3-carboxylate
- ≥98%
Cas Number: 868656-97-7 Compound CID: 11499811

Formula: C₁₀H₈BrNO₂ Molecular Weight: 254.08

IUPAC Name: methyl 6-bromo-1H-indole-3-carboxylate

SMILES: COC(=O)C1=CNC2=C1C=CC(=C2)Br

InChIKey: SKZJYJMYLUQJPG-UHFFFAOYSA-N

InChI: InChI=1S/C10H8BrNO2/c1-14-10(13)8-5-12-9-4-6(11)2-3-7(8)9/h2-5,12H,1H3
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Ethyl 5-(trifluoromethyl)indole-2-carboxylate
- ≥95%
Cas Number: 201929-84-2

Formula: C₁₂H₁₀F₃NO₂ Molecular Weight: 257.21

IUPAC Name: ethyl 5-(trifluoromethyl)-1H-indole-2-carboxylate

SMILES: CCOC(=O)C1=CC2=C(N1)C=CC(=C2)C(F)(F)F

InChIKey: XFZOLYIGTWILKO-UHFFFAOYSA-N

InChI: InChI=1S/C12H10F3NO2/c1-2-18-11(17)10-6-7-5-8(12(13,14)15)3-4-9(7)16-10/h3-6,16H,2H2,1H3
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