Organoheterocyclic compounds
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Carbazole 97.0+%, TCI America™
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
| 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 |
Nicotine 95.0+%, TCI America™
CAS: 54-11-5 Molecular Formula: C10H14N2 Molecular Weight (g/mol): 162.236 MDL Number: MFCD00006369 InChI Key: SNICXCGAKADSCV-JTQLQIEISA-N Synonym: nicotine,l-nicotine,--nicotine,s-nicotine,habitrol,s-3-1-methylpyrrolidin-2-yl pyridine,nicoderm,nicotrol,s---nicotine,nicoderm cq PubChem CID: 89594 ChEBI: CHEBI:17688 IUPAC Name: 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine SMILES: CN1CCCC1C2=CN=CC=C2
| PubChem CID | 89594 |
|---|---|
| CAS | 54-11-5 |
| Molecular Weight (g/mol) | 162.236 |
| ChEBI | CHEBI:17688 |
| MDL Number | MFCD00006369 |
| SMILES | CN1CCCC1C2=CN=CC=C2 |
| Synonym | nicotine,l-nicotine,--nicotine,s-nicotine,habitrol,s-3-1-methylpyrrolidin-2-yl pyridine,nicoderm,nicotrol,s---nicotine,nicoderm cq |
| IUPAC Name | 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine |
| InChI Key | SNICXCGAKADSCV-JTQLQIEISA-N |
| Molecular Formula | C10H14N2 |
Benzimidazole 98.0+%, TCI America™
CAS: 51-17-2 Molecular Formula: C7H6N2 Molecular Weight (g/mol): 118.14 MDL Number: MFCD00005585 InChI Key: HYZJCKYKOHLVJF-UHFFFAOYSA-N Synonym: benzimidazole,1h-benzo d imidazole,1,3-benzodiazole,benzoimidazole,o-benzimidazole,3-azaindole,benziminazole,benzoglyoxaline,azindole,1,3-diazaindene PubChem CID: 5798 ChEBI: CHEBI:41275 IUPAC Name: 1H-1,3-benzodiazole SMILES: N1C=NC2=CC=CC=C12
| PubChem CID | 5798 |
|---|---|
| CAS | 51-17-2 |
| Molecular Weight (g/mol) | 118.14 |
| ChEBI | CHEBI:41275 |
| MDL Number | MFCD00005585 |
| SMILES | N1C=NC2=CC=CC=C12 |
| Synonym | benzimidazole,1h-benzo d imidazole,1,3-benzodiazole,benzoimidazole,o-benzimidazole,3-azaindole,benziminazole,benzoglyoxaline,azindole,1,3-diazaindene |
| IUPAC Name | 1H-1,3-benzodiazole |
| InChI Key | HYZJCKYKOHLVJF-UHFFFAOYSA-N |
| Molecular Formula | C7H6N2 |
Xanthene 98.0+%, TCI America™
CAS: 92-83-1 Molecular Formula: C13H10O Molecular Weight (g/mol): 182.222 MDL Number: MFCD00005055 InChI Key: GJCOSYZMQJWQCA-UHFFFAOYSA-N Synonym: xanthene,xanthan,10h-9-oxaanthracene,dibenzo a,e pyran,dibenzopyran, tricyclic,9h-xanthen,xanthane,9h-xanthen-9-yl,acmc-209rhu PubChem CID: 7107 ChEBI: CHEBI:10057 IUPAC Name: 9H-xanthene SMILES: C1C2=CC=CC=C2OC3=CC=CC=C31
| PubChem CID | 7107 |
|---|---|
| CAS | 92-83-1 |
| Molecular Weight (g/mol) | 182.222 |
| ChEBI | CHEBI:10057 |
| MDL Number | MFCD00005055 |
| SMILES | C1C2=CC=CC=C2OC3=CC=CC=C31 |
| Synonym | xanthene,xanthan,10h-9-oxaanthracene,dibenzo a,e pyran,dibenzopyran, tricyclic,9h-xanthen,xanthane,9h-xanthen-9-yl,acmc-209rhu |
| IUPAC Name | 9H-xanthene |
| InChI Key | GJCOSYZMQJWQCA-UHFFFAOYSA-N |
| Molecular Formula | C13H10O |
1,8-Cineole 98.0+%, TCI America™
CAS: 470-82-6 Molecular Formula: C10H18O Molecular Weight (g/mol): 154.25 MDL Number: MFCD00167977 InChI Key: WEEGYLXZBRQIMU-UHFFFAOYSA-N Synonym: eucalyptol,cineole,1,8-cineole,1,8-cineol,cajeputol,1,8-epoxy-p-menthane,eucalyptole,zineol,eucapur,terpan PubChem CID: 2758 IUPAC Name: 1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane SMILES: CC12CCC(CC1)C(C)(C)O2
| PubChem CID | 2758 |
|---|---|
| CAS | 470-82-6 |
| Molecular Weight (g/mol) | 154.25 |
| MDL Number | MFCD00167977 |
| SMILES | CC12CCC(CC1)C(C)(C)O2 |
| Synonym | eucalyptol,cineole,1,8-cineole,1,8-cineol,cajeputol,1,8-epoxy-p-menthane,eucalyptole,zineol,eucapur,terpan |
| IUPAC Name | 1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane |
| InChI Key | WEEGYLXZBRQIMU-UHFFFAOYSA-N |
| Molecular Formula | C10H18O |
3-(2-Pyridyl)-5,6-bis(4-sulfophenyl)-1,2,4-triazine Disodium Salt Hydrate 98.0+%, TCI America™
CAS: 28048-33-1 Molecular Formula: C20H12N4Na2O6S2 Molecular Weight (g/mol): 514.44 MDL Number: MFCD00717621 InChI Key: DDIHLFCSEHAOJZ-UHFFFAOYSA-L Synonym: ferrozin,ferrozine,ferrozine disodium salt,unii-29j2ciw9pk,29j2ciw9pk,3-2-pyridyl-5,6-di 4-phenylsulfonic acid-1,2,4-triazine, disodium salt,4,4'-3-2-pyridyl-triazine-5,6-diyl dibenzenesulfonic acid disodium salt,4,4'-3-2-pyridinyl-1,2,4-triazine-5,6-diyl bis-benzenesulfonic acid, disodium salt,4,4'-3-2-pyridinyl-1,2,4-triazine-5,6-diyl bis-benzenesulfonic acid,disodium salt,benzenesulfonic acid, 4,4'-3-2-pyridinyl-1,2,4-triazine-5,6-diyl bis-, disodium salt PubChem CID: 34127 IUPAC Name: disodium 4-[3-(pyridin-2-yl)-5-(4-sulfonatophenyl)-1,2,4-triazin-6-yl]benzene-1-sulfonate SMILES: [Na+].[Na+].[O-]S(=O)(=O)C1=CC=C(C=C1)C1=NN=C(N=C1C1=CC=C(C=C1)S([O-])(=O)=O)C1=CC=CC=N1
| PubChem CID | 34127 |
|---|---|
| CAS | 28048-33-1 |
| Molecular Weight (g/mol) | 514.44 |
| MDL Number | MFCD00717621 |
| SMILES | [Na+].[Na+].[O-]S(=O)(=O)C1=CC=C(C=C1)C1=NN=C(N=C1C1=CC=C(C=C1)S([O-])(=O)=O)C1=CC=CC=N1 |
| Synonym | ferrozin,ferrozine,ferrozine disodium salt,unii-29j2ciw9pk,29j2ciw9pk,3-2-pyridyl-5,6-di 4-phenylsulfonic acid-1,2,4-triazine, disodium salt,4,4'-3-2-pyridyl-triazine-5,6-diyl dibenzenesulfonic acid disodium salt,4,4'-3-2-pyridinyl-1,2,4-triazine-5,6-diyl bis-benzenesulfonic acid, disodium salt,4,4'-3-2-pyridinyl-1,2,4-triazine-5,6-diyl bis-benzenesulfonic acid,disodium salt,benzenesulfonic acid, 4,4'-3-2-pyridinyl-1,2,4-triazine-5,6-diyl bis-, disodium salt |
| IUPAC Name | disodium 4-[3-(pyridin-2-yl)-5-(4-sulfonatophenyl)-1,2,4-triazin-6-yl]benzene-1-sulfonate |
| InChI Key | DDIHLFCSEHAOJZ-UHFFFAOYSA-L |
| Molecular Formula | C20H12N4Na2O6S2 |
Vilazodone Hydrochloride 98.0+%, TCI America™
CAS: 163521-08-2 Molecular Formula: C26H28ClN5O2 Molecular Weight (g/mol): 477.993 MDL Number: MFCD00940014 InChI Key: RPZBRGFNBNQSOP-UHFFFAOYSA-N Synonym: 5-[4-[4-(5-Cyano-1H-indol-3-yl)butyl]piperazin-1-yl]benzofuran-2-carboxamide Hydrochloride PubChem CID: 6918313 ChEBI: CHEBI:70705 IUPAC Name: 5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide;hydrochloride SMILES: C1CN(CCN1CCCCC2=CNC3=C2C=C(C=C3)C#N)C4=CC5=C(C=C4)OC(=C5)C(=O)N.Cl
| PubChem CID | 6918313 |
|---|---|
| CAS | 163521-08-2 |
| Molecular Weight (g/mol) | 477.993 |
| ChEBI | CHEBI:70705 |
| MDL Number | MFCD00940014 |
| SMILES | C1CN(CCN1CCCCC2=CNC3=C2C=C(C=C3)C#N)C4=CC5=C(C=C4)OC(=C5)C(=O)N.Cl |
| Synonym | 5-[4-[4-(5-Cyano-1H-indol-3-yl)butyl]piperazin-1-yl]benzofuran-2-carboxamide Hydrochloride |
| IUPAC Name | 5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide;hydrochloride |
| InChI Key | RPZBRGFNBNQSOP-UHFFFAOYSA-N |
| Molecular Formula | C26H28ClN5O2 |
Regorafenib 98.0+%, TCI America™
CAS: 755037-03-7 Molecular Formula: C21H15ClF4N4O3 Molecular Weight (g/mol): 482.82 MDL Number: MFCD16038047 InChI Key: FNHKPVJBJVTLMP-UHFFFAOYSA-N PubChem CID: 11167602 ChEBI: CHEBI:68647 IUPAC Name: 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide SMILES: CNC(=O)C1=NC=CC(=C1)OC2=CC(=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F)F
| PubChem CID | 11167602 |
|---|---|
| CAS | 755037-03-7 |
| Molecular Weight (g/mol) | 482.82 |
| ChEBI | CHEBI:68647 |
| MDL Number | MFCD16038047 |
| SMILES | CNC(=O)C1=NC=CC(=C1)OC2=CC(=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F)F |
| IUPAC Name | 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide |
| InChI Key | FNHKPVJBJVTLMP-UHFFFAOYSA-N |
| Molecular Formula | C21H15ClF4N4O3 |
2-Ethyl-3-hydroxy-6-methylpyridine Succinate 98.0+%, TCI America™
CAS: 127464-43-1 Molecular Formula: C12H17NO5 Molecular Weight (g/mol): 255.27 MDL Number: MFCD00445612 InChI Key: IKMNOGHPKNFPTK-UHFFFAOYSA-N Synonym: 2-Ethyl-6-methyl-3-pyridinol Succinate, Emoxypine Succinate PubChem CID: 122298 IUPAC Name: butanedioic acid;2-ethyl-6-methylpyridin-3-ol SMILES: CCC1=C(C=CC(=N1)C)O.C(CC(=O)O)C(=O)O
| PubChem CID | 122298 |
|---|---|
| CAS | 127464-43-1 |
| Molecular Weight (g/mol) | 255.27 |
| MDL Number | MFCD00445612 |
| SMILES | CCC1=C(C=CC(=N1)C)O.C(CC(=O)O)C(=O)O |
| Synonym | 2-Ethyl-6-methyl-3-pyridinol Succinate, Emoxypine Succinate |
| IUPAC Name | butanedioic acid;2-ethyl-6-methylpyridin-3-ol |
| InChI Key | IKMNOGHPKNFPTK-UHFFFAOYSA-N |
| Molecular Formula | C12H17NO5 |
2,6-Dimethylpyrazine 98.0+%, TCI America™
CAS: 108-50-9 Molecular Formula: C6H8N2 Molecular Weight (g/mol): 108.144 MDL Number: MFCD00006148 InChI Key: HJFZAYHYIWGLNL-UHFFFAOYSA-N Synonym: pyrazine, 2,6-dimethyl,3,5-dimethylpyrazine,2,6-dimethylpiazine,2,6-dimethylparadiazine,2,6-dimethyl-1,4-diazine,ccris 2930,unii-n77q72c9i3,fema no. 3273,natural,2,6-dimethyl pyrazine PubChem CID: 7938 IUPAC Name: 2,6-dimethylpyrazine SMILES: CC1=CN=CC(=N1)C
| PubChem CID | 7938 |
|---|---|
| CAS | 108-50-9 |
| Molecular Weight (g/mol) | 108.144 |
| MDL Number | MFCD00006148 |
| SMILES | CC1=CN=CC(=N1)C |
| Synonym | pyrazine, 2,6-dimethyl,3,5-dimethylpyrazine,2,6-dimethylpiazine,2,6-dimethylparadiazine,2,6-dimethyl-1,4-diazine,ccris 2930,unii-n77q72c9i3,fema no. 3273,natural,2,6-dimethyl pyrazine |
| IUPAC Name | 2,6-dimethylpyrazine |
| InChI Key | HJFZAYHYIWGLNL-UHFFFAOYSA-N |
| Molecular Formula | C6H8N2 |
2,3-Diethylpyrazine 98.0+%, TCI America™
CAS: 15707-24-1 Molecular Formula: C8H12N2 Molecular Weight (g/mol): 136.198 MDL Number: MFCD00006151 InChI Key: GZXXANJCCWGCSV-UHFFFAOYSA-N Synonym: pyrazine, 2,3-diethyl,unii-ad31a42vy0,pyrazine, diethyl,fema no. 3136,2,3-diethyl-pyrazine,shoyu pyrazine,pubchem8606,2,3-diethyl pyrazine,acmc-1brc9,dsstox_cid_27101 PubChem CID: 27458 IUPAC Name: 2,3-diethylpyrazine SMILES: CCC1=NC=CN=C1CC
| PubChem CID | 27458 |
|---|---|
| CAS | 15707-24-1 |
| Molecular Weight (g/mol) | 136.198 |
| MDL Number | MFCD00006151 |
| SMILES | CCC1=NC=CN=C1CC |
| Synonym | pyrazine, 2,3-diethyl,unii-ad31a42vy0,pyrazine, diethyl,fema no. 3136,2,3-diethyl-pyrazine,shoyu pyrazine,pubchem8606,2,3-diethyl pyrazine,acmc-1brc9,dsstox_cid_27101 |
| IUPAC Name | 2,3-diethylpyrazine |
| InChI Key | GZXXANJCCWGCSV-UHFFFAOYSA-N |
| Molecular Formula | C8H12N2 |
2,5-Dimethylpyrazine 98.0+%, TCI America™
CAS: 123-32-0 Molecular Formula: C6H8N2 Molecular Weight (g/mol): 108.144 MDL Number: MFCD00006147 InChI Key: LCZUOKDVTBMCMX-UHFFFAOYSA-N Synonym: 2,5-dimethyl pyrazine,pyrazine, 2,5-dimethyl,2,5-dimethylpiazine,2,5-dimethyl-1,4-diazine,2,5-dimethylparadiazine,2,5-dimethyl-pyrazine,unii-v99y0muy1q,fema no. 3272,ccris 2929,natural PubChem CID: 31252 IUPAC Name: 2,5-dimethylpyrazine SMILES: CC1=CN=C(C=N1)C
| PubChem CID | 31252 |
|---|---|
| CAS | 123-32-0 |
| Molecular Weight (g/mol) | 108.144 |
| MDL Number | MFCD00006147 |
| SMILES | CC1=CN=C(C=N1)C |
| Synonym | 2,5-dimethyl pyrazine,pyrazine, 2,5-dimethyl,2,5-dimethylpiazine,2,5-dimethyl-1,4-diazine,2,5-dimethylparadiazine,2,5-dimethyl-pyrazine,unii-v99y0muy1q,fema no. 3272,ccris 2929,natural |
| IUPAC Name | 2,5-dimethylpyrazine |
| InChI Key | LCZUOKDVTBMCMX-UHFFFAOYSA-N |
| Molecular Formula | C6H8N2 |
2-Ethylpyrazine 99.0+%, TCI America™
CAS: 13925-00-3 Molecular Formula: C6H8N2 Molecular Weight (g/mol): 108.14 MDL Number: MFCD00006149 InChI Key: KVFIJIWMDBAGDP-UHFFFAOYSA-N Synonym: ethylpyrazine,pyrazine, ethyl,2-ethyl-1,4-diazine,2-ethyl pyrazine,moldin,pyrazine, 2-ethyl,fema no. 3281,unii-0qo4luv16z,2-ethyl-pyrazine,ccris 2931 PubChem CID: 26331 ChEBI: CHEBI:73232 IUPAC Name: 2-ethylpyrazine SMILES: CCC1=CN=CC=N1
| PubChem CID | 26331 |
|---|---|
| CAS | 13925-00-3 |
| Molecular Weight (g/mol) | 108.14 |
| ChEBI | CHEBI:73232 |
| MDL Number | MFCD00006149 |
| SMILES | CCC1=CN=CC=N1 |
| Synonym | ethylpyrazine,pyrazine, ethyl,2-ethyl-1,4-diazine,2-ethyl pyrazine,moldin,pyrazine, 2-ethyl,fema no. 3281,unii-0qo4luv16z,2-ethyl-pyrazine,ccris 2931 |
| IUPAC Name | 2-ethylpyrazine |
| InChI Key | KVFIJIWMDBAGDP-UHFFFAOYSA-N |
| Molecular Formula | C6H8N2 |
2-Methoxypyrazine 98.0+%, TCI America™
CAS: 3149-28-8 Molecular Formula: C5H6N2O Molecular Weight (g/mol): 110.116 MDL Number: MFCD00006126 InChI Key: WKSXRWSOSLGSTN-UHFFFAOYSA-N Synonym: pyrazine, methoxy,methoxypyrazine,2-methoxy-1,4-diazine,pyrazine, 2-methoxy,2-methoxy-pyrazine,unii-ryd35t7f4t,2-methoxy pyrazine,fema no. 3302,ryd35t7f4t,methoxy-pyrazine PubChem CID: 18467 IUPAC Name: 2-methoxypyrazine SMILES: COC1=NC=CN=C1
| PubChem CID | 18467 |
|---|---|
| CAS | 3149-28-8 |
| Molecular Weight (g/mol) | 110.116 |
| MDL Number | MFCD00006126 |
| SMILES | COC1=NC=CN=C1 |
| Synonym | pyrazine, methoxy,methoxypyrazine,2-methoxy-1,4-diazine,pyrazine, 2-methoxy,2-methoxy-pyrazine,unii-ryd35t7f4t,2-methoxy pyrazine,fema no. 3302,ryd35t7f4t,methoxy-pyrazine |
| IUPAC Name | 2-methoxypyrazine |
| InChI Key | WKSXRWSOSLGSTN-UHFFFAOYSA-N |
| Molecular Formula | C5H6N2O |
2-Aminopyrazine 98.0+%, TCI America™
CAS: 5049-61-6 Molecular Formula: C4H5N3 Molecular Weight (g/mol): 95.105 MDL Number: MFCD00006137 InChI Key: XFTQRUTUGRCSGO-UHFFFAOYSA-N Synonym: 2-aminopyrazine,aminopyrazine,pyrazinamine,2-pyrazinamine,pyrazin-2-ylamine,pyrazine-2-ylamine,pyrazine, 2-amino,amino pyrazine,3-aminopyrazine,iminopyrazine PubChem CID: 78747 IUPAC Name: pyrazin-2-amine SMILES: C1=CN=C(C=N1)N
| PubChem CID | 78747 |
|---|---|
| CAS | 5049-61-6 |
| Molecular Weight (g/mol) | 95.105 |
| MDL Number | MFCD00006137 |
| SMILES | C1=CN=C(C=N1)N |
| Synonym | 2-aminopyrazine,aminopyrazine,pyrazinamine,2-pyrazinamine,pyrazin-2-ylamine,pyrazine-2-ylamine,pyrazine, 2-amino,amino pyrazine,3-aminopyrazine,iminopyrazine |
| IUPAC Name | pyrazin-2-amine |
| InChI Key | XFTQRUTUGRCSGO-UHFFFAOYSA-N |
| Molecular Formula | C4H5N3 |