Indoles and derivatives

Aromatic bicyclic organic compounds that consists of a benzene ring fused to a pyrrole ring with formula: C₈H₇N.

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Ethyl indole-3-acetate, 98+%

CAS: 778-82-5 Molecular Formula: C12H13NO2 Molecular Weight (g/mol): 203.241 MDL Number: MFCD00005635 InChI Key: HUDBDWIQSIGUDI-UHFFFAOYSA-N Synonym: ethyl 3-indoleacetate,ethyl 2-1h-indol-3-yl acetate,indole-3-acetic acid ethyl ester,ethyl indole-3-acetate,ethyl indol-3-ylacetate,1h-indole-3-acetic acid, ethyl ester,ethyl 1h-indol-3-ylacetate,indole-3-acetic acid, ethyl ester,ethyl beta-indolylacetate,ethyl3-indoleacetate PubChem CID: 13067 IUPAC Name: ethyl 2-(1H-indol-3-yl)acetate SMILES: CCOC(=O)CC1=CNC2=CC=CC=C21

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PubChem CID	13067
CAS	778-82-5
Molecular Weight (g/mol)	203.241
MDL Number	MFCD00005635
SMILES	CCOC(=O)CC1=CNC2=CC=CC=C21
Synonym	ethyl 3-indoleacetate,ethyl 2-1h-indol-3-yl acetate,indole-3-acetic acid ethyl ester,ethyl indole-3-acetate,ethyl indol-3-ylacetate,1h-indole-3-acetic acid, ethyl ester,ethyl 1h-indol-3-ylacetate,indole-3-acetic acid, ethyl ester,ethyl beta-indolylacetate,ethyl3-indoleacetate
IUPAC Name	ethyl 2-(1H-indol-3-yl)acetate
InChI Key	HUDBDWIQSIGUDI-UHFFFAOYSA-N
Molecular Formula	C12H13NO2

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Carbazole, 95%

CAS: 86-74-8 Molecular Formula: C12H9N Molecular Weight (g/mol): 167.21 MDL Number: MFCD00004960 InChI Key: UJOBWOGCFQCDNV-UHFFFAOYSA-N Synonym: carbazole,dibenzopyrrole,diphenylenimine,9-azafluorene,diphenylenimide,diphenyleneimine,dibenzo b,d pyrrole,usaf ek-600,unii-0p2197hhhn PubChem CID: 6854 ChEBI: CHEBI:27543 IUPAC Name: 9H-carbazole SMILES: N1C2=C(C=CC=C2)C2=C1C=CC=C2

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PubChem CID	6854
CAS	86-74-8
Molecular Weight (g/mol)	167.21
ChEBI	CHEBI:27543
MDL Number	MFCD00004960
SMILES	N1C2=C(C=CC=C2)C2=C1C=CC=C2
Synonym	carbazole,dibenzopyrrole,diphenylenimine,9-azafluorene,diphenylenimide,diphenyleneimine,dibenzo b,d pyrrole,usaf ek-600,unii-0p2197hhhn
IUPAC Name	9H-carbazole
InChI Key	UJOBWOGCFQCDNV-UHFFFAOYSA-N
Molecular Formula	C12H9N

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5,6-Dihydroxyindole, 95%

CAS: 3131-52-0 Molecular Formula: C8H7NO2 Molecular Weight (g/mol): 149.149 MDL Number: MFCD00798933 InChI Key: SGNZYJXNUURYCH-UHFFFAOYSA-N Synonym: 5,6-dihydroxyindole,dopamine lutine,3h-indole-5,6-diol,5,6-dihydroxy-1h-indole,dhi,unii-z3oc8499kg,5,6-dihydroxyindolei,chembl92636,3id,5,6-dihydroxy indole PubChem CID: 114683 ChEBI: CHEBI:27404 IUPAC Name: 1H-indole-5,6-diol SMILES: C1=CNC2=CC(=C(C=C21)O)O

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PubChem CID	114683
CAS	3131-52-0
Molecular Weight (g/mol)	149.149
ChEBI	CHEBI:27404
MDL Number	MFCD00798933
SMILES	C1=CNC2=CC(=C(C=C21)O)O
Synonym	5,6-dihydroxyindole,dopamine lutine,3h-indole-5,6-diol,5,6-dihydroxy-1h-indole,dhi,unii-z3oc8499kg,5,6-dihydroxyindolei,chembl92636,3id,5,6-dihydroxy indole
IUPAC Name	1H-indole-5,6-diol
InChI Key	SGNZYJXNUURYCH-UHFFFAOYSA-N
Molecular Formula	C8H7NO2

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Thermo Scientific Chemicals Yohimbine hydrochloride, 98%

CAS: 65-19-0 Molecular Formula: C21H27ClN2O3 Molecular Weight (g/mol): 390.91 MDL Number: MFCD00012674 InChI Key: PIPZGJSEDRMUAW-VJDCAHTMSA-N Synonym: yohimbine hydrochloride,antagonil,yohimbe,yohimbine hcl,aphrodine hydrochloride,yohimbine monohydrochloride,unii-nb2e1yp49f,yohimbin hydrochloride usp,nb2e1yp49f PubChem CID: 6169 IUPAC Name: methyl (1S,15R,18S,19R,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate;hydrochloride SMILES: [H+].[Cl-].COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCC4=C(NC5=CC=CC=C45)[C@@H]3C[C@H]12

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PubChem CID	6169
CAS	65-19-0
Molecular Weight (g/mol)	390.91
MDL Number	MFCD00012674
SMILES	[H+].[Cl-].COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCC4=C(NC5=CC=CC=C45)[C@@H]3C[C@H]12
Synonym	yohimbine hydrochloride,antagonil,yohimbe,yohimbine hcl,aphrodine hydrochloride,yohimbine monohydrochloride,unii-nb2e1yp49f,yohimbin hydrochloride usp,nb2e1yp49f
IUPAC Name	methyl (1S,15R,18S,19R,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate;hydrochloride
InChI Key	PIPZGJSEDRMUAW-VJDCAHTMSA-N
Molecular Formula	C21H27ClN2O3

Serotonin hydrochloride, 98%

CAS: 153-98-0 Molecular Formula: C10H13ClN2O Molecular Weight (g/mol): 212.677 MDL Number: MFCD00012686 InChI Key: MDIGAZPGKJFIAH-UHFFFAOYSA-N Synonym: serotonin hydrochloride,5-hydroxytryptamine hydrochloride,3-2-aminoethyl-1h-indol-5-ol hydrochloride,serotonin hcl,5-hydroxytryptamine hcl,unii-gkn429m9vs,ccris 4420,1h-indol-5-ol, 3-2-aminoethyl-, monohydrochloride,gkn429m9vs,3-2-aminoethyl indol-5-ol, chloride PubChem CID: 160436 IUPAC Name: 3-(2-aminoethyl)-1H-indol-5-ol;hydrochloride SMILES: C1=CC2=C(C=C1O)C(=CN2)CCN.Cl

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PubChem CID	160436
CAS	153-98-0
Molecular Weight (g/mol)	212.677
MDL Number	MFCD00012686
SMILES	C1=CC2=C(C=C1O)C(=CN2)CCN.Cl
Synonym	serotonin hydrochloride,5-hydroxytryptamine hydrochloride,3-2-aminoethyl-1h-indol-5-ol hydrochloride,serotonin hcl,5-hydroxytryptamine hcl,unii-gkn429m9vs,ccris 4420,1h-indol-5-ol, 3-2-aminoethyl-, monohydrochloride,gkn429m9vs,3-2-aminoethyl indol-5-ol, chloride
IUPAC Name	3-(2-aminoethyl)-1H-indol-5-ol;hydrochloride
InChI Key	MDIGAZPGKJFIAH-UHFFFAOYSA-N
Molecular Formula	C10H13ClN2O

Melatonin, 99+%

CAS: 73-31-4 Molecular Formula: C13H16N2O2 Molecular Weight (g/mol): 232.283 MDL Number: MFCD00005655 InChI Key: DRLFMBDRBRZALE-UHFFFAOYSA-N Synonym: melatonin,melatonine,n-acetyl-5-methoxytryptamine,circadin,5-methoxy-n-acetyltryptamine,n-2-5-methoxy-1h-indol-3-yl ethyl acetamide,melatol,melatonex,melovine PubChem CID: 896 ChEBI: CHEBI:16796 IUPAC Name: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide SMILES: CC(=O)NCCC1=CNC2=C1C=C(C=C2)OC

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Specifications

PubChem CID	896
CAS	73-31-4
Molecular Weight (g/mol)	232.283
ChEBI	CHEBI:16796
MDL Number	MFCD00005655
SMILES	CC(=O)NCCC1=CNC2=C1C=C(C=C2)OC
Synonym	melatonin,melatonine,n-acetyl-5-methoxytryptamine,circadin,5-methoxy-n-acetyltryptamine,n-2-5-methoxy-1h-indol-3-yl ethyl acetamide,melatol,melatonex,melovine
IUPAC Name	N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
InChI Key	DRLFMBDRBRZALE-UHFFFAOYSA-N
Molecular Formula	C13H16N2O2

Indole-3-Butyric Acid Potassium Salt, MP Biomedicals™

Molecular Formula: C12H12KNO2 Molecular Weight (g/mol): 241.331 MDL Number: MFCD00058442 InChI Key: KTWDHJYSJOSTSJ-UHFFFAOYSA-M Synonym: potassium 4-1h-indol-3-yl butanoate,indole-3-butyric acid potassium salt,indole-3-butyric acid potassium,4-indol-3-ylbutanoic acid, potassium salt,potassium indolebutyrate,pubchem22140,cambridge id 5119461,potassium ion indole-3 butyrate,indole-3-butyric acid-potassium salt,3-indole butyric acid, potassium salt PubChem CID: 23664348 IUPAC Name: potassium;4-(1H-indol-3-yl)butanoate SMILES: C1=CC=C2C(=C1)C(=CN2)CCCC(=O)[O-].[K+]

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Specifications

PubChem CID	23664348
Molecular Weight (g/mol)	241.331
MDL Number	MFCD00058442
SMILES	C1=CC=C2C(=C1)C(=CN2)CCCC(=O)[O-].[K+]
Synonym	potassium 4-1h-indol-3-yl butanoate,indole-3-butyric acid potassium salt,indole-3-butyric acid potassium,4-indol-3-ylbutanoic acid, potassium salt,potassium indolebutyrate,pubchem22140,cambridge id 5119461,potassium ion indole-3 butyrate,indole-3-butyric acid-potassium salt,3-indole butyric acid, potassium salt
IUPAC Name	potassium;4-(1H-indol-3-yl)butanoate
InChI Key	KTWDHJYSJOSTSJ-UHFFFAOYSA-M
Molecular Formula	C12H12KNO2

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Indole-3-butyric acid, 98%

CAS: 133-32-4 Molecular Formula: C12H13NO2 Molecular Weight (g/mol): 203.241 MDL Number: MFCD00005664 InChI Key: JTEDVYBZBROSJT-UHFFFAOYSA-N Synonym: indole-3-butyric acid,3-indolebutyric acid,4-1h-indol-3-yl butanoic acid,indolebutyric acid,hormodin,1h-indole-3-butanoic acid,seradix,indole-3-butanoic acid,jiffy grow,4-indol-3-yl butyric acid PubChem CID: 8617 ChEBI: CHEBI:33070 IUPAC Name: 4-(1H-indol-3-yl)butanoic acid SMILES: C1=CC=C2C(=C1)C(=CN2)CCCC(=O)O

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PubChem CID	8617
CAS	133-32-4
Molecular Weight (g/mol)	203.241
ChEBI	CHEBI:33070
MDL Number	MFCD00005664
SMILES	C1=CC=C2C(=C1)C(=CN2)CCCC(=O)O
Synonym	indole-3-butyric acid,3-indolebutyric acid,4-1h-indol-3-yl butanoic acid,indolebutyric acid,hormodin,1h-indole-3-butanoic acid,seradix,indole-3-butanoic acid,jiffy grow,4-indol-3-yl butyric acid
IUPAC Name	4-(1H-indol-3-yl)butanoic acid
InChI Key	JTEDVYBZBROSJT-UHFFFAOYSA-N
Molecular Formula	C12H13NO2

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Tryptamine, 98%

CAS: 61-54-1 Molecular Formula: C10H12N2 Molecular Weight (g/mol): 160.22 MDL Number: MFCD00005661 InChI Key: APJYDQYYACXCRM-UHFFFAOYSA-N Synonym: tryptamine,2-1h-indol-3-yl ethanamine,3-2-aminoethyl indole,1h-indole-3-ethanamine,2-3-indolyl ethylamine,indol-3-ethylamine,indole, 3-2-aminoethyl,2-indol-3-yl ethylamine,2-1h-indol-3-yl ethan-1-amine,tryptamin PubChem CID: 1150 ChEBI: CHEBI:16765 IUPAC Name: 2-(1H-indol-3-yl)ethanamine SMILES: NCCC1=CNC2=CC=CC=C12

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PubChem CID	1150
CAS	61-54-1
Molecular Weight (g/mol)	160.22
ChEBI	CHEBI:16765
MDL Number	MFCD00005661
SMILES	NCCC1=CNC2=CC=CC=C12
Synonym	tryptamine,2-1h-indol-3-yl ethanamine,3-2-aminoethyl indole,1h-indole-3-ethanamine,2-3-indolyl ethylamine,indol-3-ethylamine,indole, 3-2-aminoethyl,2-indol-3-yl ethylamine,2-1h-indol-3-yl ethan-1-amine,tryptamin
IUPAC Name	2-(1H-indol-3-yl)ethanamine
InChI Key	APJYDQYYACXCRM-UHFFFAOYSA-N
Molecular Formula	C10H12N2

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3-Indolebutyric acid, 98%

CAS: 133-32-4 Molecular Formula: C₁₂H₁₃NO₂ Molecular Weight (g/mol): 203.24 MDL Number: MFCD00005664 InChI Key: JTEDVYBZBROSJT-UHFFFAOYSA-N Synonym: indole-3-butyric acid,3-indolebutyric acid,4-1h-indol-3-yl butanoic acid,indolebutyric acid,hormodin,1h-indole-3-butanoic acid,seradix,indole-3-butanoic acid,jiffy grow,4-indol-3-yl butyric acid PubChem CID: 8617 ChEBI: CHEBI:33070 IUPAC Name: 4-(1H-indol-3-yl)butanoic acid SMILES: C1=CC=C2C(=C1)C(=CN2)CCCC(=O)O

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PubChem CID	8617
CAS	133-32-4
Molecular Weight (g/mol)	203.24
ChEBI	CHEBI:33070
MDL Number	MFCD00005664
SMILES	C1=CC=C2C(=C1)C(=CN2)CCCC(=O)O
Synonym	indole-3-butyric acid,3-indolebutyric acid,4-1h-indol-3-yl butanoic acid,indolebutyric acid,hormodin,1h-indole-3-butanoic acid,seradix,indole-3-butanoic acid,jiffy grow,4-indol-3-yl butyric acid
IUPAC Name	4-(1H-indol-3-yl)butanoic acid
InChI Key	JTEDVYBZBROSJT-UHFFFAOYSA-N
Molecular Formula	C₁₂H₁₃NO₂

4',6-Diamidino-2-phenylindole dihydrochloride, >98%, MP Biomedicals™

CAS: 28718-90-3 Molecular Formula: C16H17Cl2N5 Molecular Weight (g/mol): 350.25 MDL Number: MFCD00012681 InChI Key: FPNZBYLXNYPRLR-UHFFFAOYSA-N Synonym: 4',6-diamidino-2-phenylindole dihydrochloride,dapi dihydrochloride,dapi, dihydrochloride,2-4-carbamimidoylphenyl-1h-indole-6-carboximidamide dihydrochloride,dapi hydrochloride,2-phenylindole-4',6-dicarboxamidine dihydrohydrochloride hydrate,2-4-amidinophenyl-6-indolecarbamidine dihydrochloride,4′,6-diamidino-2-phenylindole, 2hcl,ccris 8836 PubChem CID: 160166 IUPAC Name: dihydrogen 2-(4-carbamimidoylphenyl)-1H-indole-6-carboximidamide dichloride SMILES: [H+].[H+].[Cl-].[Cl-].NC(=N)C1=CC=C(C=C1)C1=CC2=CC=C(C=C2N1)C(N)=N

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PubChem CID	160166
CAS	28718-90-3
Molecular Weight (g/mol)	350.25
MDL Number	MFCD00012681
SMILES	[H+].[H+].[Cl-].[Cl-].NC(=N)C1=CC=C(C=C1)C1=CC2=CC=C(C=C2N1)C(N)=N
Synonym	4',6-diamidino-2-phenylindole dihydrochloride,dapi dihydrochloride,dapi, dihydrochloride,2-4-carbamimidoylphenyl-1h-indole-6-carboximidamide dihydrochloride,dapi hydrochloride,2-phenylindole-4',6-dicarboxamidine dihydrohydrochloride hydrate,2-4-amidinophenyl-6-indolecarbamidine dihydrochloride,4′,6-diamidino-2-phenylindole, 2hcl,ccris 8836
IUPAC Name	dihydrogen 2-(4-carbamimidoylphenyl)-1H-indole-6-carboximidamide dichloride
InChI Key	FPNZBYLXNYPRLR-UHFFFAOYSA-N
Molecular Formula	C16H17Cl2N5

PubChem CID	6854
CAS	86-74-8
Molecular Weight (g/mol)	167.21
ChEBI	CHEBI:27543
MDL Number	MFCD00004960
SMILES	N1C2=C(C=CC=C2)C2=C1C=CC=C2
Synonym	carbazole,dibenzopyrrole,diphenylenimine,9-azafluorene,diphenylenimide,diphenyleneimine,dibenzo b,d pyrrole,usaf ek-600,unii-0p2197hhhn
IUPAC Name	9H-carbazole
InChI Key	UJOBWOGCFQCDNV-UHFFFAOYSA-N
Molecular Formula	C12H9N

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Thermo Scientific Chemicals Indomethacin

CAS: 53-86-1 Molecular Formula: C₁₉H₁₆ClNO₄ Molecular Weight (g/mol): 357.79 InChI Key: CGIGDMFJXJATDK-UHFFFAOYSA-N Synonym: indomethacin,indometacin,indocin,indometacine,indomethacine,indocid,metindol,amuno,indomethazine,imbrilon PubChem CID: 3715 ChEBI: CHEBI:49662 IUPAC Name: 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid SMILES: CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O

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PubChem CID	3715
CAS	53-86-1
Molecular Weight (g/mol)	357.79
ChEBI	CHEBI:49662
SMILES	CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O
Synonym	indomethacin,indometacin,indocin,indometacine,indomethacine,indocid,metindol,amuno,indomethazine,imbrilon
IUPAC Name	2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid
InChI Key	CGIGDMFJXJATDK-UHFFFAOYSA-N
Molecular Formula	C₁₉H₁₆ClNO₄

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Thermo Scientific Chemicals Staurosporine, 98%

CAS: 62996-74-1 Molecular Formula: C₂₈H₂₆N₄O₃ Molecular Weight (g/mol): 466.5 MDL Number: MFCD00077402 InChI Key: HKSZLNNOFSGOKW-ZYSRIHRCSA-N Synonym: staurosporine,kinome_3629 PubChem CID: 49831000 SMILES: CC12C(C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)NC)OC

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PubChem CID	49831000
CAS	62996-74-1
Molecular Weight (g/mol)	466.5
MDL Number	MFCD00077402
SMILES	CC12C(C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)NC)OC
Synonym	staurosporine,kinome_3629
InChI Key	HKSZLNNOFSGOKW-ZYSRIHRCSA-N
Molecular Formula	C₂₈H₂₆N₄O₃

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1-Methylindole, 98+%

CAS: 603-76-9 Molecular Formula: C₉H₉N Molecular Weight (g/mol): 131.18 MDL Number: MFCD00005800 InChI Key: BLRHMMGNCXNXJL-UHFFFAOYSA-N Synonym: 1-methyl-1h-indole,n-methylindole,1h-indole, 1-methyl,indole, 1-methyl,1-methylindol,methylindole,unii-8h698roj5f,n-,chembl19912,n-methylindol PubChem CID: 11781 IUPAC Name: 1-methylindole SMILES: CN1C=CC2=CC=CC=C21

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Specifications

PubChem CID	11781
CAS	603-76-9
Molecular Weight (g/mol)	131.18
MDL Number	MFCD00005800
SMILES	CN1C=CC2=CC=CC=C21
Synonym	1-methyl-1h-indole,n-methylindole,1h-indole, 1-methyl,indole, 1-methyl,1-methylindol,methylindole,unii-8h698roj5f,n-,chembl19912,n-methylindol
IUPAC Name	1-methylindole
InChI Key	BLRHMMGNCXNXJL-UHFFFAOYSA-N
Molecular Formula	C₉H₉N

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