Organoheterocyclic compounds
Filtered Search Results
2-Methylimidazole, 97%
CAS: 693-98-1 Molecular Formula: C4H6N2 Molecular Weight (g/mol): 82.11 MDL Number: MFCD00005190 InChI Key: LXBGSDVWAMZHDD-UHFFFAOYSA-N Synonym: 2-methylimidazole,1h-imidazole, 2-methyl,imidazole, 2-methyl,2-methyl imidazole,2-methylglyoxaline,unii-t0049z45lz,ccris 2459,dsstox_cid_2107,dsstox_rid_76489,dsstox_gsid_22107 PubChem CID: 12749 IUPAC Name: 2-methyl-1H-imidazole SMILES: CC1=NC=CN1
| PubChem CID | 12749 |
|---|---|
| CAS | 693-98-1 |
| Molecular Weight (g/mol) | 82.11 |
| MDL Number | MFCD00005190 |
| SMILES | CC1=NC=CN1 |
| Synonym | 2-methylimidazole,1h-imidazole, 2-methyl,imidazole, 2-methyl,2-methyl imidazole,2-methylglyoxaline,unii-t0049z45lz,ccris 2459,dsstox_cid_2107,dsstox_rid_76489,dsstox_gsid_22107 |
| IUPAC Name | 2-methyl-1H-imidazole |
| InChI Key | LXBGSDVWAMZHDD-UHFFFAOYSA-N |
| Molecular Formula | C4H6N2 |
Benzo[b]thiophene-3-carboxylic acid, 96%
CAS: 5381-25-9 Molecular Formula: C9H6O2S Molecular Weight (g/mol): 178.205 MDL Number: MFCD01846406 InChI Key: DRBLTQNCQJXSNU-UHFFFAOYSA-N Synonym: benzo b thiophene-3-carboxylic acid,benzothiophene-3-carboxylic acid,benzothiophene-3-carboxylicacid,pubchem13463,acmc-20a10z,ksc178m8d,1-benzo b thiophene-3-carboxylic acid,#,thianaphthene-3-carboxylic acid PubChem CID: 601280 IUPAC Name: 1-benzothiophene-3-carboxylic acid SMILES: C1=CC=C2C(=C1)C(=CS2)C(=O)O
| PubChem CID | 601280 |
|---|---|
| CAS | 5381-25-9 |
| Molecular Weight (g/mol) | 178.205 |
| MDL Number | MFCD01846406 |
| SMILES | C1=CC=C2C(=C1)C(=CS2)C(=O)O |
| Synonym | benzo b thiophene-3-carboxylic acid,benzothiophene-3-carboxylic acid,benzothiophene-3-carboxylicacid,pubchem13463,acmc-20a10z,ksc178m8d,1-benzo b thiophene-3-carboxylic acid,#,thianaphthene-3-carboxylic acid |
| IUPAC Name | 1-benzothiophene-3-carboxylic acid |
| InChI Key | DRBLTQNCQJXSNU-UHFFFAOYSA-N |
| Molecular Formula | C9H6O2S |
Caffeine, 1mg/ml in methanol
CAS: 58-08-2 Molecular Formula: C8H10N4O2 Molecular Weight (g/mol): 194.19 MDL Number: MFCD00005758 InChI Key: RYYVLZVUVIJVGH-UHFFFAOYSA-N Synonym: caffeine,1,3,7-trimethylxanthine,guaranine,thein,cafeina,methyltheobromine,koffein,mateina,theine,alert-pep PubChem CID: 2519 ChEBI: CHEBI:27732 IUPAC Name: 1,3,7-trimethylpurine-2,6-dione SMILES: CN1C=NC2=C1C(=O)N(C)C(=O)N2C
| PubChem CID | 2519 |
|---|---|
| CAS | 58-08-2 |
| Molecular Weight (g/mol) | 194.19 |
| ChEBI | CHEBI:27732 |
| MDL Number | MFCD00005758 |
| SMILES | CN1C=NC2=C1C(=O)N(C)C(=O)N2C |
| Synonym | caffeine,1,3,7-trimethylxanthine,guaranine,thein,cafeina,methyltheobromine,koffein,mateina,theine,alert-pep |
| IUPAC Name | 1,3,7-trimethylpurine-2,6-dione |
| InChI Key | RYYVLZVUVIJVGH-UHFFFAOYSA-N |
| Molecular Formula | C8H10N4O2 |
Linezolid, 98%
CAS: 165800-03-3 Molecular Formula: C16H20FN3O4 Molecular Weight (g/mol): 337.35 InChI Key: TYZROVQLWOKYKF-ZDUSSCGKSA-N Synonym: linezolid,zyvox,zyvoxid,s-n-3-3-fluoro-4-morpholinophenyl-2-oxooxazolidin-5-yl methyl acetamide,zyvoxam,linezolide,linezlid,zyvoxa,linezolid usan:inn,unii-isq9i6j12j PubChem CID: 441401 ChEBI: CHEBI:63607 IUPAC Name: N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide SMILES: CC(=O)NCC1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCOCC3)F
| PubChem CID | 441401 |
|---|---|
| CAS | 165800-03-3 |
| Molecular Weight (g/mol) | 337.35 |
| ChEBI | CHEBI:63607 |
| SMILES | CC(=O)NCC1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCOCC3)F |
| Synonym | linezolid,zyvox,zyvoxid,s-n-3-3-fluoro-4-morpholinophenyl-2-oxooxazolidin-5-yl methyl acetamide,zyvoxam,linezolide,linezlid,zyvoxa,linezolid usan:inn,unii-isq9i6j12j |
| IUPAC Name | N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide |
| InChI Key | TYZROVQLWOKYKF-ZDUSSCGKSA-N |
| Molecular Formula | C16H20FN3O4 |
Thermo Scientific Chemicals 5-Fluorouracil, 99%
CAS: 51-21-8 Molecular Formula: C4H3FN2O2 Molecular Weight (g/mol): 130.08 MDL Number: MFCD00006018 InChI Key: GHASVSINZRGABV-UHFFFAOYSA-N Synonym: 5-fluorouracil,fluorouracil,5-fu,fluoroplex,adrucil,efudex,carac,fluracil,fluoroblastin,kecimeton PubChem CID: 3385 ChEBI: CHEBI:46345 IUPAC Name: 5-fluoro-1H-pyrimidine-2,4-dione SMILES: FC1=CNC(=O)NC1=O
| PubChem CID | 3385 |
|---|---|
| CAS | 51-21-8 |
| Molecular Weight (g/mol) | 130.08 |
| ChEBI | CHEBI:46345 |
| MDL Number | MFCD00006018 |
| SMILES | FC1=CNC(=O)NC1=O |
| Synonym | 5-fluorouracil,fluorouracil,5-fu,fluoroplex,adrucil,efudex,carac,fluracil,fluoroblastin,kecimeton |
| IUPAC Name | 5-fluoro-1H-pyrimidine-2,4-dione |
| InChI Key | GHASVSINZRGABV-UHFFFAOYSA-N |
| Molecular Formula | C4H3FN2O2 |
Pyromellitic dianhydride, 98%
CAS: 89-32-7 Molecular Formula: C10H2O6 Molecular Weight (g/mol): 218.12 MDL Number: MFCD00005005 InChI Key: ANSXAPJVJOKRDJ-UHFFFAOYSA-N Synonym: pyromellitic dianhydride,pyromellitic anhydride,pyromellitic acid anhydride,1,2,4,5-benzenetetracarboxylic anhydride,pyromellitic acid dianhydride,1h,3h-benzo 1,2-c:4,5-c' difuran-1,3,5,7-tetrone,pmda,benzo 1,2-c:4,5-c' difuran-1,3,5,7-tetraone,unii-2z22t30qzq,1,2,4,5-benzenetetracarboxylic dianhydride PubChem CID: 6966 SMILES: O=C1OC(=O)C2=CC3=C(C=C12)C(=O)OC3=O
| PubChem CID | 6966 |
|---|---|
| CAS | 89-32-7 |
| Molecular Weight (g/mol) | 218.12 |
| MDL Number | MFCD00005005 |
| SMILES | O=C1OC(=O)C2=CC3=C(C=C12)C(=O)OC3=O |
| Synonym | pyromellitic dianhydride,pyromellitic anhydride,pyromellitic acid anhydride,1,2,4,5-benzenetetracarboxylic anhydride,pyromellitic acid dianhydride,1h,3h-benzo 1,2-c:4,5-c' difuran-1,3,5,7-tetrone,pmda,benzo 1,2-c:4,5-c' difuran-1,3,5,7-tetraone,unii-2z22t30qzq,1,2,4,5-benzenetetracarboxylic dianhydride |
| InChI Key | ANSXAPJVJOKRDJ-UHFFFAOYSA-N |
| Molecular Formula | C10H2O6 |
Tris(2,2'-bipyridyl)ruthenium(II) chloride, hexahydrate, 98%
CAS: 50525-27-4 Molecular Formula: C30H36Cl2N6O6Ru Molecular Weight (g/mol): 748.62 MDL Number: MFCD00149670 InChI Key: WHELTKFSBJNBMQ-UHFFFAOYSA-L Synonym: tris 2,2'-bipyridyl ruthenium ii chloride hexahydrate PubChem CID: 131664161 IUPAC Name: 2-pyridin-2-ylpyridine;ruthenium(2+);dichloride;hydrate SMILES: O.O.O.O.O.O.[Cl-].[Cl-].[Ru++].C1=CN=C(C=C1)C1=NC=CC=C1.C1=CN=C(C=C1)C1=NC=CC=C1.C1=CN=C(C=C1)C1=NC=CC=C1
| PubChem CID | 131664161 |
|---|---|
| CAS | 50525-27-4 |
| Molecular Weight (g/mol) | 748.62 |
| MDL Number | MFCD00149670 |
| SMILES | O.O.O.O.O.O.[Cl-].[Cl-].[Ru++].C1=CN=C(C=C1)C1=NC=CC=C1.C1=CN=C(C=C1)C1=NC=CC=C1.C1=CN=C(C=C1)C1=NC=CC=C1 |
| Synonym | tris 2,2'-bipyridyl ruthenium ii chloride hexahydrate |
| IUPAC Name | 2-pyridin-2-ylpyridine;ruthenium(2+);dichloride;hydrate |
| InChI Key | WHELTKFSBJNBMQ-UHFFFAOYSA-L |
| Molecular Formula | C30H36Cl2N6O6Ru |
epsilon-Caprolactam, 99+%
CAS: 105-60-2 Molecular Formula: C6H11NO Molecular Weight (g/mol): 113.16 MDL Number: MFCD00006936 InChI Key: JBKVHLHDHHXQEQ-UHFFFAOYSA-N Synonym: epsilon-caprolactam,caprolactam,6-caprolactam,2-oxohexamethylenimine,aminocaproic lactam,2-azacycloheptanone,hexahydro-2h-azepin-2-one,2h-azepin-2-one, hexahydro,6-hexanelactam,hexanolactam PubChem CID: 7768 ChEBI: CHEBI:28579 IUPAC Name: azepan-2-one SMILES: C1CCC(=O)NCC1
| PubChem CID | 7768 |
|---|---|
| CAS | 105-60-2 |
| Molecular Weight (g/mol) | 113.16 |
| ChEBI | CHEBI:28579 |
| MDL Number | MFCD00006936 |
| SMILES | C1CCC(=O)NCC1 |
| Synonym | epsilon-caprolactam,caprolactam,6-caprolactam,2-oxohexamethylenimine,aminocaproic lactam,2-azacycloheptanone,hexahydro-2h-azepin-2-one,2h-azepin-2-one, hexahydro,6-hexanelactam,hexanolactam |
| IUPAC Name | azepan-2-one |
| InChI Key | JBKVHLHDHHXQEQ-UHFFFAOYSA-N |
| Molecular Formula | C6H11NO |
Citrinin, MP Biomedicals™
CAS: 518-75-2 Molecular Formula: C13H14O5 Molecular Weight (g/mol): 250.25 InChI Key: CBGDIJWINPWWJW-IYSWYEEDSA-N Synonym: citrinin,antimycin,--citrinin,citriain,3r,4s-4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-3h-2-benzopyran-7-carboxylic acid,unii-3s697x6snz,ccris 175,3h-2-benzopyran-7-carboxylic acid, 4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-, 3r-trans,3r-trans-4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-3h-2-benzopyran-7-carboxylic acid,4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-3h-2-benzopyran-7-carboxylic acid PubChem CID: 54680783 IUPAC Name: (3R,4S)-6-hydroxy-3,4,5-trimethyl-8-oxo-3,4-dihydroisochromene-7-carboxylic acid SMILES: CC1C(OC=C2C1=C(C(=C(C2=O)C(=O)O)O)C)C
| PubChem CID | 54680783 |
|---|---|
| CAS | 518-75-2 |
| Molecular Weight (g/mol) | 250.25 |
| SMILES | CC1C(OC=C2C1=C(C(=C(C2=O)C(=O)O)O)C)C |
| Synonym | citrinin,antimycin,--citrinin,citriain,3r,4s-4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-3h-2-benzopyran-7-carboxylic acid,unii-3s697x6snz,ccris 175,3h-2-benzopyran-7-carboxylic acid, 4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-, 3r-trans,3r-trans-4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-3h-2-benzopyran-7-carboxylic acid,4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-3h-2-benzopyran-7-carboxylic acid |
| IUPAC Name | (3R,4S)-6-hydroxy-3,4,5-trimethyl-8-oxo-3,4-dihydroisochromene-7-carboxylic acid |
| InChI Key | CBGDIJWINPWWJW-IYSWYEEDSA-N |
| Molecular Formula | C13H14O5 |
Nicotinic Acid 99.0+%, TCI America™
CAS: 59-67-6 Molecular Formula: C6H5NO2 Molecular Weight (g/mol): 123.11 MDL Number: MFCD00006391 InChI Key: PVNIIMVLHYAWGP-UHFFFAOYSA-N Synonym: nicotinic acid,niacin,3-pyridinecarboxylic acid,3-carboxypyridine,wampocap,acidum nicotinicum,apelagrin,pellagrin,akotin,daskil PubChem CID: 938 ChEBI: CHEBI:15940 IUPAC Name: pyridine-3-carboxylic acid SMILES: OC(=O)C1=CC=CN=C1
| PubChem CID | 938 |
|---|---|
| CAS | 59-67-6 |
| Molecular Weight (g/mol) | 123.11 |
| ChEBI | CHEBI:15940 |
| MDL Number | MFCD00006391 |
| SMILES | OC(=O)C1=CC=CN=C1 |
| Synonym | nicotinic acid,niacin,3-pyridinecarboxylic acid,3-carboxypyridine,wampocap,acidum nicotinicum,apelagrin,pellagrin,akotin,daskil |
| IUPAC Name | pyridine-3-carboxylic acid |
| InChI Key | PVNIIMVLHYAWGP-UHFFFAOYSA-N |
| Molecular Formula | C6H5NO2 |
3-Hydroxy-5-methylisoxazole 98.0+%, TCI America™
CAS: 10004-44-1 Molecular Formula: C4H5NO2 Molecular Weight (g/mol): 99.089 MDL Number: MFCD00144468 InChI Key: KGVPNLBXJKTABS-UHFFFAOYSA-N Synonym: hymexazol,3-hydroxy-5-methylisoxazole,hymexazole,5-methylisoxazol-3-ol,5-methylisoxazol-3 2h-one,hydroxyisoxazole,tachigaren,itachigarden,5-methyl-3-hydroxyisoxazole,5-methyl-3 2h-isoxazolone PubChem CID: 24781 ChEBI: CHEBI:5827 IUPAC Name: 5-methyl-1,2-oxazol-3-one SMILES: CC1=CC(=O)NO1
| PubChem CID | 24781 |
|---|---|
| CAS | 10004-44-1 |
| Molecular Weight (g/mol) | 99.089 |
| ChEBI | CHEBI:5827 |
| MDL Number | MFCD00144468 |
| SMILES | CC1=CC(=O)NO1 |
| Synonym | hymexazol,3-hydroxy-5-methylisoxazole,hymexazole,5-methylisoxazol-3-ol,5-methylisoxazol-3 2h-one,hydroxyisoxazole,tachigaren,itachigarden,5-methyl-3-hydroxyisoxazole,5-methyl-3 2h-isoxazolone |
| IUPAC Name | 5-methyl-1,2-oxazol-3-one |
| InChI Key | KGVPNLBXJKTABS-UHFFFAOYSA-N |
| Molecular Formula | C4H5NO2 |
1,10-Phenanthroline monohydrate, 99+%, pure
CAS: 5144-89-8 Molecular Formula: C12H10N2O Molecular Weight (g/mol): 198.23 MDL Number: MFCD00149973 InChI Key: PPQJCISYYXZCAE-UHFFFAOYSA-N PubChem CID: 21226 SMILES: O.C1=CN=C2C(C=CC3=CC=CN=C23)=C1
| PubChem CID | 21226 |
|---|---|
| CAS | 5144-89-8 |
| Molecular Weight (g/mol) | 198.23 |
| MDL Number | MFCD00149973 |
| SMILES | O.C1=CN=C2C(C=CC3=CC=CN=C23)=C1 |
| InChI Key | PPQJCISYYXZCAE-UHFFFAOYSA-N |
| Molecular Formula | C12H10N2O |
Cyanuric chloride, 98%
CAS: 108-77-0 Molecular Formula: C3Cl3N3 Molecular Weight (g/mol): 184.40 MDL Number: MFCD00006046 InChI Key: MGNCLNQXLYJVJD-UHFFFAOYSA-N Synonym: cyanuric chloride,cyanuryl chloride,cyanuric acid chloride,s-triazine trichloride,trichlorocyanidine,cyanuric trichloride,tricyanogen chloride,sym-trichlorotriazine,cyanur chloride,trichloro-s-triazine PubChem CID: 7954 ChEBI: CHEBI:58964 SMILES: ClC1=NC(Cl)=NC(Cl)=N1
| PubChem CID | 7954 |
|---|---|
| CAS | 108-77-0 |
| Molecular Weight (g/mol) | 184.40 |
| ChEBI | CHEBI:58964 |
| MDL Number | MFCD00006046 |
| SMILES | ClC1=NC(Cl)=NC(Cl)=N1 |
| Synonym | cyanuric chloride,cyanuryl chloride,cyanuric acid chloride,s-triazine trichloride,trichlorocyanidine,cyanuric trichloride,tricyanogen chloride,sym-trichlorotriazine,cyanur chloride,trichloro-s-triazine |
| InChI Key | MGNCLNQXLYJVJD-UHFFFAOYSA-N |
| Molecular Formula | C3Cl3N3 |
Allopurinol, 99.78%, MP Biomedicals™
CAS: 315-30-0 Molecular Formula: C5H4N4O Molecular Weight (g/mol): 136.11 MDL Number: MFCD00599413 InChI Key: OFCNXPDARWKPPY-UHFFFAOYSA-N Synonym: allopurinol,1h-pyrazolo 3,4-d pyrimidin-4-ol,zyloprim,zyloric,lopurin,atisuril,bleminol,caplenal,uripurinol,embarin PubChem CID: 2094 ChEBI: CHEBI:40279 IUPAC Name: 1H,2H,4H-pyrazolo[3,4-d]pyrimidin-4-one SMILES: O=C1N=CN=C2NNC=C12
| PubChem CID | 2094 |
|---|---|
| CAS | 315-30-0 |
| Molecular Weight (g/mol) | 136.11 |
| ChEBI | CHEBI:40279 |
| MDL Number | MFCD00599413 |
| SMILES | O=C1N=CN=C2NNC=C12 |
| Synonym | allopurinol,1h-pyrazolo 3,4-d pyrimidin-4-ol,zyloprim,zyloric,lopurin,atisuril,bleminol,caplenal,uripurinol,embarin |
| IUPAC Name | 1H,2H,4H-pyrazolo[3,4-d]pyrimidin-4-one |
| InChI Key | OFCNXPDARWKPPY-UHFFFAOYSA-N |
| Molecular Formula | C5H4N4O |
N,N,N',N'-Tetramethyl-O-(N-succinimidyl)uronium Tetrafluoroborate 98.0+%, TCI America™
CAS: 105832-38-0 Molecular Formula: C9H16BF4N3O3 Molecular Weight (g/mol): 301.05 MDL Number: MFCD00077875 InChI Key: YEBLHMRPZHNTEK-UHFFFAOYSA-N Synonym: tstu,o-n-succinimidyl-1,1,3,3-tetramethyluronium tetrafluoroborate,2-2,5-dioxopyrrolidin-1-yl-1,1,3,3-tetramethylisouronium tetrafluoroborate,2-succinimido-1,1,3,3-tetramethyluronium tetrafluoroborate,n,n,n',n'-tetramethyl-o-n-succinimidyl uronium tetrafluoroborate,o-n-succinimidyl-n,n,n',n'-tetramethyluronium tetrafluoroborate,o-n-succinimidyl-n,n,n',n'-tetramethyl-uronium tetrafluoroborate,dimethylamino 2,5-dioxopyrrolidin-1-yl oxy methylidene dimethylazanium tetrafluoroborate,o-n-succinimidyl-n,n,n',n'-tetramethyl uronium bf4,pubchem12781 PubChem CID: 9857522 IUPAC Name: [(dimethylamino)[(2,5-dioxopyrrolidin-1-yl)oxy]methylidene]dimethylazanium; tetrafluoroboranuide SMILES: F[B-](F)(F)F.CN(C)C(ON1C(=O)CCC1=O)=[N+](C)C
| PubChem CID | 9857522 |
|---|---|
| CAS | 105832-38-0 |
| Molecular Weight (g/mol) | 301.05 |
| MDL Number | MFCD00077875 |
| SMILES | F[B-](F)(F)F.CN(C)C(ON1C(=O)CCC1=O)=[N+](C)C |
| Synonym | tstu,o-n-succinimidyl-1,1,3,3-tetramethyluronium tetrafluoroborate,2-2,5-dioxopyrrolidin-1-yl-1,1,3,3-tetramethylisouronium tetrafluoroborate,2-succinimido-1,1,3,3-tetramethyluronium tetrafluoroborate,n,n,n',n'-tetramethyl-o-n-succinimidyl uronium tetrafluoroborate,o-n-succinimidyl-n,n,n',n'-tetramethyluronium tetrafluoroborate,o-n-succinimidyl-n,n,n',n'-tetramethyl-uronium tetrafluoroborate,dimethylamino 2,5-dioxopyrrolidin-1-yl oxy methylidene dimethylazanium tetrafluoroborate,o-n-succinimidyl-n,n,n',n'-tetramethyl uronium bf4,pubchem12781 |
| IUPAC Name | [(dimethylamino)[(2,5-dioxopyrrolidin-1-yl)oxy]methylidene]dimethylazanium; tetrafluoroboranuide |
| InChI Key | YEBLHMRPZHNTEK-UHFFFAOYSA-N |
| Molecular Formula | C9H16BF4N3O3 |