Organoheterocyclic compounds
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2,6-Pyridinedicarboxylic Acid 98.0+%, TCI America™
CAS: 499-83-2 Molecular Formula: C7H5NO4 Molecular Weight (g/mol): 167.12 MDL Number: MFCD00006299 InChI Key: WJJMNDUMQPNECX-UHFFFAOYSA-N Synonym: 2,6-pyridinedicarboxylic acid,dipicolinic acid,2,6-dipicolinic acid,dipicolinate,2,6-dicarboxypyridine,2,6-pyridinedicarboxylate,unii-ue81s5cq0g,2,6-pyridinedicarboxylicacid,ue81s5cq0g,2,6-pyridinedicarboxylic acid dipicolinic acid PubChem CID: 10367 ChEBI: CHEBI:46837 IUPAC Name: pyridine-2,6-dicarboxylic acid SMILES: C1=CC(=NC(=C1)C(=O)O)C(=O)O
| PubChem CID | 10367 |
|---|---|
| CAS | 499-83-2 |
| Molecular Weight (g/mol) | 167.12 |
| ChEBI | CHEBI:46837 |
| MDL Number | MFCD00006299 |
| SMILES | C1=CC(=NC(=C1)C(=O)O)C(=O)O |
| Synonym | 2,6-pyridinedicarboxylic acid,dipicolinic acid,2,6-dipicolinic acid,dipicolinate,2,6-dicarboxypyridine,2,6-pyridinedicarboxylate,unii-ue81s5cq0g,2,6-pyridinedicarboxylicacid,ue81s5cq0g,2,6-pyridinedicarboxylic acid dipicolinic acid |
| IUPAC Name | pyridine-2,6-dicarboxylic acid |
| InChI Key | WJJMNDUMQPNECX-UHFFFAOYSA-N |
| Molecular Formula | C7H5NO4 |
6-Methyl-2H-pyrido[1,2-a]pyrimidin-2-one 98.0+%, TCI America™
CAS: 16075-68-6 Molecular Formula: C9H8N2O Molecular Weight (g/mol): 160.176 MDL Number: MFCD00191466 InChI Key: XVVOALIRSDLWJA-UHFFFAOYSA-N PubChem CID: 21766687 IUPAC Name: 6-methylpyrido[1,2-a]pyrimidin-2-one SMILES: CC1=CC=CC2=NC(=O)C=CN12
| PubChem CID | 21766687 |
|---|---|
| CAS | 16075-68-6 |
| Molecular Weight (g/mol) | 160.176 |
| MDL Number | MFCD00191466 |
| SMILES | CC1=CC=CC2=NC(=O)C=CN12 |
| IUPAC Name | 6-methylpyrido[1,2-a]pyrimidin-2-one |
| InChI Key | XVVOALIRSDLWJA-UHFFFAOYSA-N |
| Molecular Formula | C9H8N2O |
m-Methyl Red, TCI America™
CAS: 20691-84-3 Molecular Formula: C15H15N3O2 Molecular Weight (g/mol): 269.304 MDL Number: MFCD00059641 InChI Key: JAMPLPMVLCTBSB-UHFFFAOYSA-N Synonym: 4-Dimethylaminoazobenzene-3′C-carboxylic Acid PubChem CID: 30230 IUPAC Name: 3-[[4-(dimethylamino)phenyl]diazenyl]benzoic acid SMILES: CN(C)C1=CC=C(C=C1)N=NC2=CC=CC(=C2)C(=O)O
| PubChem CID | 30230 |
|---|---|
| CAS | 20691-84-3 |
| Molecular Weight (g/mol) | 269.304 |
| MDL Number | MFCD00059641 |
| SMILES | CN(C)C1=CC=C(C=C1)N=NC2=CC=CC(=C2)C(=O)O |
| Synonym | 4-Dimethylaminoazobenzene-3′C-carboxylic Acid |
| IUPAC Name | 3-[[4-(dimethylamino)phenyl]diazenyl]benzoic acid |
| InChI Key | JAMPLPMVLCTBSB-UHFFFAOYSA-N |
| Molecular Formula | C15H15N3O2 |
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran 99.0+%, TCI America™
CAS: 912824-85-2 Molecular Formula: C18H19BO3 Molecular Weight (g/mol): 294.16 MDL Number: MFCD18910632 InChI Key: AVWYETCDUMCCNK-UHFFFAOYSA-N Synonym: Dibenzofuran-4-boronic Acid Pinacol Ester, 2-(Dibenzofuran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane PubChem CID: 60146103 IUPAC Name: 4,4,5,5-tetramethyl-2-{8-oxatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl}-1,3,2-dioxaborolane SMILES: CC1(C)OB(OC1(C)C)C1=CC=CC2=C1OC1=C2C=CC=C1
| PubChem CID | 60146103 |
|---|---|
| CAS | 912824-85-2 |
| Molecular Weight (g/mol) | 294.16 |
| MDL Number | MFCD18910632 |
| SMILES | CC1(C)OB(OC1(C)C)C1=CC=CC2=C1OC1=C2C=CC=C1 |
| Synonym | Dibenzofuran-4-boronic Acid Pinacol Ester, 2-(Dibenzofuran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
| IUPAC Name | 4,4,5,5-tetramethyl-2-{8-oxatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl}-1,3,2-dioxaborolane |
| InChI Key | AVWYETCDUMCCNK-UHFFFAOYSA-N |
| Molecular Formula | C18H19BO3 |
4-(Dicyanomethylene)-2,6-dimethyl-4H-pyran 98.0+%, TCI America™
CAS: 28286-88-6 Molecular Formula: C10H8N2O Molecular Weight (g/mol): 172.19 MDL Number: MFCD00181519 InChI Key: XYBUCJYJVULPHW-UHFFFAOYSA-N Synonym: 2-(2,6-Dimethyl-4H-pyran-4-ylidene)propanedinitrile PubChem CID: 119915 IUPAC Name: 2-(2,6-dimethyl-4H-pyran-4-ylidene)propanedinitrile SMILES: CC1=CC(C=C(C)O1)=C(C#N)C#N
| PubChem CID | 119915 |
|---|---|
| CAS | 28286-88-6 |
| Molecular Weight (g/mol) | 172.19 |
| MDL Number | MFCD00181519 |
| SMILES | CC1=CC(C=C(C)O1)=C(C#N)C#N |
| Synonym | 2-(2,6-Dimethyl-4H-pyran-4-ylidene)propanedinitrile |
| IUPAC Name | 2-(2,6-dimethyl-4H-pyran-4-ylidene)propanedinitrile |
| InChI Key | XYBUCJYJVULPHW-UHFFFAOYSA-N |
| Molecular Formula | C10H8N2O |
1,2-Dimethyl-5-nitroimidazole 97.0+%, TCI America™
CAS: 551-92-8 Molecular Formula: C5H7N3O2 Molecular Weight (g/mol): 141.13 MDL Number: MFCD00047046 InChI Key: IBXPYPUJPLLOIN-UHFFFAOYSA-N Synonym: dimetridazole,1,2-dimethyl-5-nitro-1h-imidazole,dimetridazol,emtrylvet,emtrymix,emtryl,unizole soluble,1h-imidazole, 1,2-dimethyl-5-nitro,5-nitro-1,2-dimethylimidazole,dimetridazolo PubChem CID: 3090 IUPAC Name: 1,2-dimethyl-5-nitro-1H-imidazole SMILES: CN1C(C)=NC=C1[N+]([O-])=O
| PubChem CID | 3090 |
|---|---|
| CAS | 551-92-8 |
| Molecular Weight (g/mol) | 141.13 |
| MDL Number | MFCD00047046 |
| SMILES | CN1C(C)=NC=C1[N+]([O-])=O |
| Synonym | dimetridazole,1,2-dimethyl-5-nitro-1h-imidazole,dimetridazol,emtrylvet,emtrymix,emtryl,unizole soluble,1h-imidazole, 1,2-dimethyl-5-nitro,5-nitro-1,2-dimethylimidazole,dimetridazolo |
| IUPAC Name | 1,2-dimethyl-5-nitro-1H-imidazole |
| InChI Key | IBXPYPUJPLLOIN-UHFFFAOYSA-N |
| Molecular Formula | C5H7N3O2 |
4,4'-Bis(4,6-diphenyl-1,3,5-triazin-2-yl)biphenyl (This product is unavailable in the U.S.) 95.0+%, TCI America™
CAS: 266349-83-1 Molecular Formula: C42H28N6 Molecular Weight (g/mol): 616.73 MDL Number: MFCD28291963 InChI Key: UICMBMCOVLMLIE-UHFFFAOYSA-N PubChem CID: 22598582 IUPAC Name: 2-[4'-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1,1'-biphenyl]-4-yl]-4,6-diphenyl-1,3,5-triazine SMILES: C1=CC=C(C=C1)C1=NC(=NC(=N1)C1=CC=CC=C1)C1=CC=C(C=C1)C1=CC=C(C=C1)C1=NC(=NC(=N1)C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 22598582 |
|---|---|
| CAS | 266349-83-1 |
| Molecular Weight (g/mol) | 616.73 |
| MDL Number | MFCD28291963 |
| SMILES | C1=CC=C(C=C1)C1=NC(=NC(=N1)C1=CC=CC=C1)C1=CC=C(C=C1)C1=CC=C(C=C1)C1=NC(=NC(=N1)C1=CC=CC=C1)C1=CC=CC=C1 |
| IUPAC Name | 2-[4'-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1,1'-biphenyl]-4-yl]-4,6-diphenyl-1,3,5-triazine |
| InChI Key | UICMBMCOVLMLIE-UHFFFAOYSA-N |
| Molecular Formula | C42H28N6 |
Copper(II) 5,9,14,18,23,27,32,36-Octabutoxy-2,3-naphthalocyanine 97.0+%, TCI America™
CAS: 155773-67-4 Molecular Formula: C80H88CuN8O8 Molecular Weight (g/mol): 1353.178 MDL Number: MFCD00191950 InChI Key: JJIWQZDKAOMTKU-UHFFFAOYSA-N Synonym: 5,9,14,18,23,27,32,36-Octabutoxy-2,3-naphthalocyanine Copper(II) PubChem CID: 22834032 SMILES: CCCCOC1=C2C=CC=CC2=C(C3=C4[N-]C(=C31)N=C5C6=C(C7=CC=CC=C7C(=C6C(=NC8=NC(=NC9=NC(=N4)C1=C(C2=CC=CC=C2C(=C19)OCCCC)OCCCC)C1=C(C2=CC=CC=C2C(=C18)OCCCC)OCCCC)[N-]5)OCCCC)OCCCC)OCCCC.[Cu+2]
| PubChem CID | 22834032 |
|---|---|
| CAS | 155773-67-4 |
| Molecular Weight (g/mol) | 1353.178 |
| MDL Number | MFCD00191950 |
| SMILES | CCCCOC1=C2C=CC=CC2=C(C3=C4[N-]C(=C31)N=C5C6=C(C7=CC=CC=C7C(=C6C(=NC8=NC(=NC9=NC(=N4)C1=C(C2=CC=CC=C2C(=C19)OCCCC)OCCCC)C1=C(C2=CC=CC=C2C(=C18)OCCCC)OCCCC)[N-]5)OCCCC)OCCCC)OCCCC.[Cu+2] |
| Synonym | 5,9,14,18,23,27,32,36-Octabutoxy-2,3-naphthalocyanine Copper(II) |
| InChI Key | JJIWQZDKAOMTKU-UHFFFAOYSA-N |
| Molecular Formula | C80H88CuN8O8 |
2,5-Dihydroxy-1,4-dithiane 96.0+%, TCI America™
CAS: 40018-26-6 Molecular Formula: C4H8O2S2 Molecular Weight (g/mol): 152.226 MDL Number: MFCD00006659 InChI Key: YUIOPHXTILULQC-UHFFFAOYSA-N Synonym: p-dithiane-2,5-diol,2,5-dihydroxy-1,4-dithiane,mercaptoacetaldehyde dimer,4-dithiane-2,5-diol,1,4 dithiane-2,5-diol,2,5-dihydroxy-1,4-dithian,p-dthane-2,5-dol,pubchem20480,1,4dithiane-2,5diol,acmc-1anme PubChem CID: 98330 IUPAC Name: 1,4-dithiane-2,5-diol SMILES: C1C(SCC(S1)O)O
| PubChem CID | 98330 |
|---|---|
| CAS | 40018-26-6 |
| Molecular Weight (g/mol) | 152.226 |
| MDL Number | MFCD00006659 |
| SMILES | C1C(SCC(S1)O)O |
| Synonym | p-dithiane-2,5-diol,2,5-dihydroxy-1,4-dithiane,mercaptoacetaldehyde dimer,4-dithiane-2,5-diol,1,4 dithiane-2,5-diol,2,5-dihydroxy-1,4-dithian,p-dthane-2,5-dol,pubchem20480,1,4dithiane-2,5diol,acmc-1anme |
| IUPAC Name | 1,4-dithiane-2,5-diol |
| InChI Key | YUIOPHXTILULQC-UHFFFAOYSA-N |
| Molecular Formula | C4H8O2S2 |
2-Methylquinoline-6-carboxylic Acid 98.0+%, TCI America™
CAS: 635-80-3 Molecular Formula: C11H9NO2 Molecular Weight (g/mol): 187.198 MDL Number: MFCD00748504 InChI Key: IZONZQFTYGVOOO-UHFFFAOYSA-N Synonym: 2-methyl-6-quinolinecarboxylic acid,6-quinolinecarboxylic acid, 2-methyl,2-methyl-6-quinolinecarboxylicacid,2-methylquinoline-6-carboxylicacid,acmc-1b4d8,quinaldine-6-carboxylic acid,6-carboxy-2-methyl quinoline,ksc352o8f,2-methyl-quinoline-6-carboxylic acid PubChem CID: 604483 IUPAC Name: 2-methylquinoline-6-carboxylic acid SMILES: CC1=NC2=C(C=C1)C=C(C=C2)C(=O)O
| PubChem CID | 604483 |
|---|---|
| CAS | 635-80-3 |
| Molecular Weight (g/mol) | 187.198 |
| MDL Number | MFCD00748504 |
| SMILES | CC1=NC2=C(C=C1)C=C(C=C2)C(=O)O |
| Synonym | 2-methyl-6-quinolinecarboxylic acid,6-quinolinecarboxylic acid, 2-methyl,2-methyl-6-quinolinecarboxylicacid,2-methylquinoline-6-carboxylicacid,acmc-1b4d8,quinaldine-6-carboxylic acid,6-carboxy-2-methyl quinoline,ksc352o8f,2-methyl-quinoline-6-carboxylic acid |
| IUPAC Name | 2-methylquinoline-6-carboxylic acid |
| InChI Key | IZONZQFTYGVOOO-UHFFFAOYSA-N |
| Molecular Formula | C11H9NO2 |
2-Thiophenemethanol 98.0+%, TCI America™
CAS: 636-72-6 Molecular Formula: C5H6OS Molecular Weight (g/mol): 114.16 MDL Number: MFCD00005454 InChI Key: ZPHGMBGIFODUMF-UHFFFAOYSA-N Synonym: 2-thiophenemethanol,thiophene-2-methanol,2-thienylmethanol,2-hydroxymethylthiophene,2-thenyl alcohol,2-hydroxymethyl thiophene,thenyl alcohol,2-thiophenecarbinol,thien-2-yl methanol,thiophen-2-yl methanol PubChem CID: 69467 IUPAC Name: (thiophen-2-yl)methanol SMILES: OCC1=CC=CS1
| PubChem CID | 69467 |
|---|---|
| CAS | 636-72-6 |
| Molecular Weight (g/mol) | 114.16 |
| MDL Number | MFCD00005454 |
| SMILES | OCC1=CC=CS1 |
| Synonym | 2-thiophenemethanol,thiophene-2-methanol,2-thienylmethanol,2-hydroxymethylthiophene,2-thenyl alcohol,2-hydroxymethyl thiophene,thenyl alcohol,2-thiophenecarbinol,thien-2-yl methanol,thiophen-2-yl methanol |
| IUPAC Name | (thiophen-2-yl)methanol |
| InChI Key | ZPHGMBGIFODUMF-UHFFFAOYSA-N |
| Molecular Formula | C5H6OS |
4,7-Dibromo-1,10-phenanthroline Hydrate 98.0+%, TCI America™
CAS: 156492-30-7 Molecular Formula: C12H6Br2N2 Molecular Weight (g/mol): 338.002 MDL Number: MFCD25562940 InChI Key: AKZAIDYHEKUXBU-UHFFFAOYSA-N PubChem CID: 11393583 IUPAC Name: 4,7-dibromo-1,10-phenanthroline SMILES: C1=CC2=C(C=CN=C2C3=NC=CC(=C31)Br)Br
| PubChem CID | 11393583 |
|---|---|
| CAS | 156492-30-7 |
| Molecular Weight (g/mol) | 338.002 |
| MDL Number | MFCD25562940 |
| SMILES | C1=CC2=C(C=CN=C2C3=NC=CC(=C31)Br)Br |
| IUPAC Name | 4,7-dibromo-1,10-phenanthroline |
| InChI Key | AKZAIDYHEKUXBU-UHFFFAOYSA-N |
| Molecular Formula | C12H6Br2N2 |
Azilsartan 98.0+%, TCI America™
CAS: 147403-03-0 Molecular Formula: C25H20N4O5 Molecular Weight (g/mol): 456.46 MDL Number: MFCD20278186 InChI Key: KGSXMPPBFPAXLY-UHFFFAOYSA-N Synonym: azilsartan,unii-f9nux55p23,azilsartan tak-536,chembl57242,2-ethoxy-1-2'-5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl biphenyl-4-yl methyl-1h-benzimidazole-7-carboxylic acid,1h-benzimidazole-7-carboxylic acid, 1-2'-2,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl 1,1'-biphenyl-4-yl methyl-2-ethoxy,1-2'-2,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl 1,1'-biphenyl-4-yl methyl-2-ethoxy-1h-benzimidazole-7-carboxylic acid,2-ethoxy-1-2'-5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl biphenyl-4-yl methyl-1h-benzo d imidazole-7-carboxylic acid,2-ethoxy-1-2'-4,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl biphenyl-4-yl methyl benzimidazole-7-carboxylic acid,2-ethoxy-3-4-2-5-oxo-2h-1,2,4-oxadiazol-3-yl phenyl phenyl methyl benzimidazole-4-carboxylic acid PubChem CID: 9825285 ChEBI: CHEBI:68850 IUPAC Name: 2-ethoxy-1-{[2'-(5-oxo-2,5-dihydro-1,2,4-oxadiazol-3-yl)-[1,1'-biphenyl]-4-yl]methyl}-1H-1,3-benzodiazole-7-carboxylic acid SMILES: CCOC1=NC2=CC=CC(C(O)=O)=C2N1CC1=CC=C(C=C1)C1=CC=CC=C1C1=NC(=O)ON1
| PubChem CID | 9825285 |
|---|---|
| CAS | 147403-03-0 |
| Molecular Weight (g/mol) | 456.46 |
| ChEBI | CHEBI:68850 |
| MDL Number | MFCD20278186 |
| SMILES | CCOC1=NC2=CC=CC(C(O)=O)=C2N1CC1=CC=C(C=C1)C1=CC=CC=C1C1=NC(=O)ON1 |
| Synonym | azilsartan,unii-f9nux55p23,azilsartan tak-536,chembl57242,2-ethoxy-1-2'-5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl biphenyl-4-yl methyl-1h-benzimidazole-7-carboxylic acid,1h-benzimidazole-7-carboxylic acid, 1-2'-2,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl 1,1'-biphenyl-4-yl methyl-2-ethoxy,1-2'-2,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl 1,1'-biphenyl-4-yl methyl-2-ethoxy-1h-benzimidazole-7-carboxylic acid,2-ethoxy-1-2'-5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl biphenyl-4-yl methyl-1h-benzo d imidazole-7-carboxylic acid,2-ethoxy-1-2'-4,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl biphenyl-4-yl methyl benzimidazole-7-carboxylic acid,2-ethoxy-3-4-2-5-oxo-2h-1,2,4-oxadiazol-3-yl phenyl phenyl methyl benzimidazole-4-carboxylic acid |
| IUPAC Name | 2-ethoxy-1-{[2'-(5-oxo-2,5-dihydro-1,2,4-oxadiazol-3-yl)-[1,1'-biphenyl]-4-yl]methyl}-1H-1,3-benzodiazole-7-carboxylic acid |
| InChI Key | KGSXMPPBFPAXLY-UHFFFAOYSA-N |
| Molecular Formula | C25H20N4O5 |
Palonosetron Hydrochloride 98.0+%, TCI America™
CAS: 135729-62-3 Molecular Formula: C19H25ClN2O Molecular Weight (g/mol): 332.87 MDL Number: MFCD00939524 InChI Key: OLDRWYVIKMSFFB-KPVRICSOSA-N PubChem CID: 6918303 ChEBI: CHEBI:85157 IUPAC Name: hydrogen (5R)-3-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3-azatricyclo[7.3.1.0⁵,¹³]trideca-1(13),9,11-trien-2-one chloride SMILES: [H+].[Cl-].O=C1N(C[C@@H]2CCCC3=CC=CC1=C23)[C@@H]1CN2CCC1CC2
| PubChem CID | 6918303 |
|---|---|
| CAS | 135729-62-3 |
| Molecular Weight (g/mol) | 332.87 |
| ChEBI | CHEBI:85157 |
| MDL Number | MFCD00939524 |
| SMILES | [H+].[Cl-].O=C1N(C[C@@H]2CCCC3=CC=CC1=C23)[C@@H]1CN2CCC1CC2 |
| IUPAC Name | hydrogen (5R)-3-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3-azatricyclo[7.3.1.0⁵,¹³]trideca-1(13),9,11-trien-2-one chloride |
| InChI Key | OLDRWYVIKMSFFB-KPVRICSOSA-N |
| Molecular Formula | C19H25ClN2O |
1-(2-Propynyl)piperazine 97.0+%, TCI America™
CAS: 52070-67-4 Molecular Formula: C7H12N2 Molecular Weight (g/mol): 124.187 MDL Number: MFCD08445213 InChI Key: GWCSATTUAOHJDK-UHFFFAOYSA-N Synonym: 1-Propargylpiperazine PubChem CID: 14627369 IUPAC Name: 1-prop-2-ynylpiperazine SMILES: C#CCN1CCNCC1
| PubChem CID | 14627369 |
|---|---|
| CAS | 52070-67-4 |
| Molecular Weight (g/mol) | 124.187 |
| MDL Number | MFCD08445213 |
| SMILES | C#CCN1CCNCC1 |
| Synonym | 1-Propargylpiperazine |
| IUPAC Name | 1-prop-2-ynylpiperazine |
| InChI Key | GWCSATTUAOHJDK-UHFFFAOYSA-N |
| Molecular Formula | C7H12N2 |