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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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

5-Hydroxyindole-3-Acetic Acid Analytical Standard, MilliporeSigma™ Supelco™

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Percent Purity	≥98% (HPLC)
CAS	54-16-0
MDL Number	MFCD00005639
Synonym	5-HIAA
RTECS Number	NL3650000
Recommended Storage	-20°C
Grade	Analytical Standard
Shelf Life	Limited shelf life, expiry date on the label
Molecular Formula	C10H9NO3
Formula Weight	191.18
Melting Point	161°C to 164°C (literature)

Oncrasin 1 95.0+%, TCI America™

CAS: 75629-57-1 Molecular Formula: C16H12ClNO Molecular Weight (g/mol): 269.73 MDL Number: MFCD01051808 InChI Key: ZDRQMXCSSAPUMM-UHFFFAOYSA-N PubChem CID: 872445 IUPAC Name: 1-[(4-chlorophenyl)methyl]-1H-indole-3-carbaldehyde SMILES: ClC1=CC=C(CN2C=C(C=O)C3=CC=CC=C23)C=C1

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PubChem CID	872445
CAS	75629-57-1
Molecular Weight (g/mol)	269.73
MDL Number	MFCD01051808
SMILES	ClC1=CC=C(CN2C=C(C=O)C3=CC=CC=C23)C=C1
IUPAC Name	1-[(4-chlorophenyl)methyl]-1H-indole-3-carbaldehyde
InChI Key	ZDRQMXCSSAPUMM-UHFFFAOYSA-N
Molecular Formula	C16H12ClNO

Indometacin Farnesil 98.0+%, TCI America™

CAS: 85801-02-1 Molecular Formula: C34H40ClNO4 Molecular Weight (g/mol): 562.147 MDL Number: MFCD00870661 InChI Key: CFIGYZZVJNJVDQ-LMJOQDENSA-N PubChem CID: 5282183 IUPAC Name: [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate SMILES: CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)OCC=C(C)CCC=C(C)CCC=C(C)C

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PubChem CID	5282183
CAS	85801-02-1
Molecular Weight (g/mol)	562.147
MDL Number	MFCD00870661
SMILES	CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)OCC=C(C)CCC=C(C)CCC=C(C)C
IUPAC Name	[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
InChI Key	CFIGYZZVJNJVDQ-LMJOQDENSA-N
Molecular Formula	C34H40ClNO4

Yohimbine Hydrochloride 99.0+%, TCI America™

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: hydrogen methyl (1S,15R,18S,19R,20S)-18-hydroxy-3,13-diazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-2(10),4,6,8-tetraene-19-carboxylate chloride 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	hydrogen methyl (1S,15R,18S,19R,20S)-18-hydroxy-3,13-diazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-2(10),4,6,8-tetraene-19-carboxylate chloride
InChI Key	PIPZGJSEDRMUAW-VJDCAHTMSA-N
Molecular Formula	C21H27ClN2O3

2-(4-Amidinophenyl)indole-6-carboxamidine Dihydrochloride 90.0+%, TCI America™

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

Indole-3-acetamide 98.0+%, TCI America™

CAS: 879-37-8 Molecular Formula: C10H10N2O Molecular Weight (g/mol): 174.20 MDL Number: MFCD00005641 InChI Key: ZOAMBXDOGPRZLP-UHFFFAOYSA-N PubChem CID: 397 ChEBI: CHEBI:16031 IUPAC Name: 2-(1H-indol-3-yl)acetamide SMILES: NC(=O)CC1=CNC2=CC=CC=C12

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PubChem CID	397
CAS	879-37-8
Molecular Weight (g/mol)	174.20
ChEBI	CHEBI:16031
MDL Number	MFCD00005641
SMILES	NC(=O)CC1=CNC2=CC=CC=C12
IUPAC Name	2-(1H-indol-3-yl)acetamide
InChI Key	ZOAMBXDOGPRZLP-UHFFFAOYSA-N
Molecular Formula	C10H10N2O

9-Ethylcarbazole-3-carboxaldehyde N-Ethyl-N-phenylhydrazone 98.0+%, TCI America™

CAS: 84678-52-4 Molecular Formula: C23H23N3 Molecular Weight (g/mol): 341.458 MDL Number: MFCD03208617 InChI Key: IPCPWEQNRXADBE-JJIBRWJFSA-N Synonym: 9-Ethyl-3-(N-ethyl-N-phenylhydrazonomethyl)carbazole PubChem CID: 9608395 IUPAC Name: N-ethyl-N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]aniline SMILES: CCN1C2=C(C=C(C=C2)C=NN(CC)C3=CC=CC=C3)C4=CC=CC=C41

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Specifications

PubChem CID	9608395
CAS	84678-52-4
Molecular Weight (g/mol)	341.458
MDL Number	MFCD03208617
SMILES	CCN1C2=C(C=C(C=C2)C=NN(CC)C3=CC=CC=C3)C4=CC=CC=C41
Synonym	9-Ethyl-3-(N-ethyl-N-phenylhydrazonomethyl)carbazole
IUPAC Name	N-ethyl-N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]aniline
InChI Key	IPCPWEQNRXADBE-JJIBRWJFSA-N
Molecular Formula	C23H23N3

9-Ethylcarbazole-3-carboxaldehyde Diphenylhydrazone 98.0+%, TCI America™

CAS: 73276-70-7 Molecular Formula: C27H23N3 Molecular Weight (g/mol): 389.50 MDL Number: MFCD00144879 InChI Key: CEAPHJPESODIQL-VFCFBJKWSA-N Synonym: 3-(Diphenylhydrazonomethyl)-9-ethylcarbazole PubChem CID: 9577933 IUPAC Name: 3-[(E)-(2,2-diphenylhydrazin-1-ylidene)methyl]-9-ethyl-9H-carbazole SMILES: CCN1C2=C(C=CC=C2)C2=C1C=CC(\C=N\N(C1=CC=CC=C1)C1=CC=CC=C1)=C2

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PubChem CID	9577933
CAS	73276-70-7
Molecular Weight (g/mol)	389.50
MDL Number	MFCD00144879
SMILES	CCN1C2=C(C=CC=C2)C2=C1C=CC(\C=N\N(C1=CC=CC=C1)C1=CC=CC=C1)=C2
Synonym	3-(Diphenylhydrazonomethyl)-9-ethylcarbazole
IUPAC Name	3-[(E)-(2,2-diphenylhydrazin-1-ylidene)methyl]-9-ethyl-9H-carbazole
InChI Key	CEAPHJPESODIQL-VFCFBJKWSA-N
Molecular Formula	C27H23N3

10,15-Dihydro-5H-diindolo[3,2-a:3',2'-c]carbazole 98.0+%, TCI America™

CAS: 109005-10-9 Molecular Formula: C24H15N3 Molecular Weight (g/mol): 345.405 MDL Number: MFCD21609440 InChI Key: IQRFZFGTHZJRFV-UHFFFAOYSA-N Synonym: 10,15-Dihydro-5H-5,10,15-triazadiindeno[1,2-a:1′,2′-c]fluorene PubChem CID: 13707158 SMILES: C1=CC=C2C(=C1)C3=C(N2)C4=C(C5=C3NC6=CC=CC=C65)NC7=CC=CC=C74

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PubChem CID	13707158
CAS	109005-10-9
Molecular Weight (g/mol)	345.405
MDL Number	MFCD21609440
SMILES	C1=CC=C2C(=C1)C3=C(N2)C4=C(C5=C3NC6=CC=CC=C65)NC7=CC=CC=C74
Synonym	10,15-Dihydro-5H-5,10,15-triazadiindeno[1,2-a:1′,2′-c]fluorene
InChI Key	IQRFZFGTHZJRFV-UHFFFAOYSA-N
Molecular Formula	C24H15N3

9-Ethylcarbazole-3-carboxaldehyde N-Butyl-N-phenylhydrazone 98.0+%, TCI America™

CAS: 88107-84-0 Molecular Formula: C25H27N3 Molecular Weight (g/mol): 369.51 MDL Number: MFCD06797101 InChI Key: WUJYNCPGAXBZMF-UHFFFAOYSA-N Synonym: 9-Ethyl-3-(N-butyl-N-phenylhydrazonomethyl)carbazole PubChem CID: 93978906 IUPAC Name: 3-[(2-butyl-2-phenylhydrazin-1-ylidene)methyl]-9-ethyl-9H-carbazole SMILES: CCCCN(N=CC1=CC2=C(C=C1)N(CC)C1=C2C=CC=C1)C1=CC=CC=C1

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PubChem CID	93978906
CAS	88107-84-0
Molecular Weight (g/mol)	369.51
MDL Number	MFCD06797101
SMILES	CCCCN(N=CC1=CC2=C(C=C1)N(CC)C1=C2C=CC=C1)C1=CC=CC=C1
Synonym	9-Ethyl-3-(N-butyl-N-phenylhydrazonomethyl)carbazole
IUPAC Name	3-[(2-butyl-2-phenylhydrazin-1-ylidene)methyl]-9-ethyl-9H-carbazole
InChI Key	WUJYNCPGAXBZMF-UHFFFAOYSA-N
Molecular Formula	C25H27N3

9,9'-Diphenyl-9H,9'H-3,3'-bicarbazole 98.0+%, TCI America™

CAS: 57102-62-2 Molecular Formula: C36H24N2 Molecular Weight (g/mol): 484.602 InChI Key: MHTPESFJWCJELK-UHFFFAOYSA-N PubChem CID: 23386665 IUPAC Name: 9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole SMILES: C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)N(C6=CC=CC=C65)C7=CC=CC=C7)C8=CC=CC=C82

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Specifications

PubChem CID	23386665
CAS	57102-62-2
Molecular Weight (g/mol)	484.602
SMILES	C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)N(C6=CC=CC=C65)C7=CC=CC=C7)C8=CC=CC=C82
IUPAC Name	9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
InChI Key	MHTPESFJWCJELK-UHFFFAOYSA-N
Molecular Formula	C36H24N2

1,3,5-Tri(9H-carbazol-9-yl)benzene (purified by sublimation) 98.0+%, TCI America™

CAS: 148044-07-9 Molecular Formula: C42H27N3 Molecular Weight (g/mol): 573.70 MDL Number: MFCD03844810 InChI Key: DVNOWTJCOPZGQA-UHFFFAOYSA-N PubChem CID: 22218951 IUPAC Name: 9-[3,5-bis(9H-carbazol-9-yl)phenyl]-9H-carbazole SMILES: C1=CC2=C(C=C1)C1=C(C=CC=C1)N2C1=CC(=CC(=C1)N1C2=C(C=CC=C2)C2=C1C=CC=C2)N1C2=C(C=CC=C2)C2=C1C=CC=C2

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Specifications

PubChem CID	22218951
CAS	148044-07-9
Molecular Weight (g/mol)	573.70
MDL Number	MFCD03844810
SMILES	C1=CC2=C(C=C1)C1=C(C=CC=C1)N2C1=CC(=CC(=C1)N1C2=C(C=CC=C2)C2=C1C=CC=C2)N1C2=C(C=CC=C2)C2=C1C=CC=C2
IUPAC Name	9-[3,5-bis(9H-carbazol-9-yl)phenyl]-9H-carbazole
InChI Key	DVNOWTJCOPZGQA-UHFFFAOYSA-N
Molecular Formula	C42H27N3

Luzindole 98.0+%, TCI America™

CAS: 117946-91-5 Molecular Formula: C19H20N2O Molecular Weight (g/mol): 292.38 MDL Number: MFCD00672498 InChI Key: WVVXBPKOIZGVNS-UHFFFAOYSA-N Synonym: luzindole,n-acetyl-2-benzyltryptamine,2-benzyl-n-acetyltryptamine,n-2-2-benzyl-1h-indol-3-yl ethyl acetamide,n-2-2-phenylmethyl-1h-indol-3-yl ethyl acetamide,tocris-0877,n-acetyl-2-benzyl-tryptamine,acetamide, n-2-2-phenylmethyl-1h-indol-3-yl ethyl,n-2-2-benzylindol-3-yl ethyl acetamide PubChem CID: 122162 IUPAC Name: N-[2-(2-benzyl-1H-indol-3-yl)ethyl]acetamide SMILES: CC(=O)NCCC1=C(CC2=CC=CC=C2)NC2=CC=CC=C12

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Specifications

PubChem CID	122162
CAS	117946-91-5
Molecular Weight (g/mol)	292.38
MDL Number	MFCD00672498
SMILES	CC(=O)NCCC1=C(CC2=CC=CC=C2)NC2=CC=CC=C12
Synonym	luzindole,n-acetyl-2-benzyltryptamine,2-benzyl-n-acetyltryptamine,n-2-2-benzyl-1h-indol-3-yl ethyl acetamide,n-2-2-phenylmethyl-1h-indol-3-yl ethyl acetamide,tocris-0877,n-acetyl-2-benzyl-tryptamine,acetamide, n-2-2-phenylmethyl-1h-indol-3-yl ethyl,n-2-2-benzylindol-3-yl ethyl acetamide
IUPAC Name	N-[2-(2-benzyl-1H-indol-3-yl)ethyl]acetamide
InChI Key	WVVXBPKOIZGVNS-UHFFFAOYSA-N
Molecular Formula	C19H20N2O

2,7-Dibromo-9-(4-bromophenyl)-9H-carbazole 98.0+%, TCI America™

CAS: 1313900-20-7 Molecular Formula: C18H10Br3N Molecular Weight (g/mol): 479.997 InChI Key: MKSHSKZVLIHXMT-UHFFFAOYSA-N PubChem CID: 129317820 IUPAC Name: 2,7-dibromo-9-(4-bromophenyl)carbazole SMILES: C1=CC(=CC=C1N2C3=C(C=CC(=C3)Br)C4=C2C=C(C=C4)Br)Br

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Specifications

PubChem CID	129317820
CAS	1313900-20-7
Molecular Weight (g/mol)	479.997
SMILES	C1=CC(=CC=C1N2C3=C(C=CC(=C3)Br)C4=C2C=C(C=C4)Br)Br
IUPAC Name	2,7-dibromo-9-(4-bromophenyl)carbazole
InChI Key	MKSHSKZVLIHXMT-UHFFFAOYSA-N
Molecular Formula	C18H10Br3N

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