Organoheterocyclic compounds
Filtered Search Results
Nicotinic acid, 99%
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 |
Vitamin B12, 98+% (dry wt basis)
CAS: 68-19-9 Molecular Formula: C63H88CoN14O14P Molecular Weight (g/mol): 1355.39 MDL Number: MFCD00151092 InChI Key: YUWVGNQGDAPKCX-BVWPOUIRNA-L Synonym: vitamin b12 PubChem CID: 129893524 IUPAC Name: cobalt(2+);[(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2R)-1-[3-[(1R,2R,3R,5Z,7S,10Z,12S,13S,15Z,17S,18S,19R)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl- SMILES: [C@@H]1(C2=CC3=[N+]4C(C(C3(C)C)CCC(N)=O)=C(C3=[N+]5C6C7(N8C(C([C@@]7(C)CC(N)=O)CCC(N)=O)=C(C(=[N+]2[Co+]458([N+]2=CN(C4=CC(=C(C)C=C24)C)[C@@]2([H])O[C@@H]([C@]([H])(OP([O-])(=O)OC(C)CNC(=O)CCC3(C)[C@@H]6CC(N)=O)C2O)CO)C#N)C1(C)CC(N)=O)C)C)C)CCC(N)=O
| PubChem CID | 129893524 |
|---|---|
| CAS | 68-19-9 |
| Molecular Weight (g/mol) | 1355.39 |
| MDL Number | MFCD00151092 |
| SMILES | [C@@H]1(C2=CC3=[N+]4C(C(C3(C)C)CCC(N)=O)=C(C3=[N+]5C6C7(N8C(C([C@@]7(C)CC(N)=O)CCC(N)=O)=C(C(=[N+]2[Co+]458([N+]2=CN(C4=CC(=C(C)C=C24)C)[C@@]2([H])O[C@@H]([C@]([H])(OP([O-])(=O)OC(C)CNC(=O)CCC3(C)[C@@H]6CC(N)=O)C2O)CO)C#N)C1(C)CC(N)=O)C)C)C)CCC(N)=O |
| Synonym | vitamin b12 |
| IUPAC Name | cobalt(2+);[(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2R)-1-[3-[(1R,2R,3R,5Z,7S,10Z,12S,13S,15Z,17S,18S,19R)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl- |
| InChI Key | YUWVGNQGDAPKCX-BVWPOUIRNA-L |
| Molecular Formula | C63H88CoN14O14P |
Thermo Scientific Chemicals Quinine sulfate dihydrate, 99+%
CAS: 6119-70-6 Molecular Formula: C40H54N4O10S Molecular Weight (g/mol): 782.95 MDL Number: MFCD00150790 InChI Key: ZHNFLHYOFXQIOW-OIGVVMIYNA-N PubChem CID: 134129495 IUPAC Name: (R)-[(2R,4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;sulfuric acid;tetrahydrate SMILES: O.O.OS(O)(=O)=O.[H][C@@]1(CN2CCC1C[C@@]2([H])[C@H](O)C1=C2C=C(OC)C=CC2=NC=C1)C=C.[H][C@@]1(CN2CCC1C[C@@]2([H])[C@H](O)C1=C2C=C(OC)C=CC2=NC=C1)C=C
| PubChem CID | 134129495 |
|---|---|
| CAS | 6119-70-6 |
| Molecular Weight (g/mol) | 782.95 |
| MDL Number | MFCD00150790 |
| SMILES | O.O.OS(O)(=O)=O.[H][C@@]1(CN2CCC1C[C@@]2([H])[C@H](O)C1=C2C=C(OC)C=CC2=NC=C1)C=C.[H][C@@]1(CN2CCC1C[C@@]2([H])[C@H](O)C1=C2C=C(OC)C=CC2=NC=C1)C=C |
| IUPAC Name | (R)-[(2R,4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;sulfuric acid;tetrahydrate |
| InChI Key | ZHNFLHYOFXQIOW-OIGVVMIYNA-N |
| Molecular Formula | C40H54N4O10S |
Thermo Scientific Chemicals Fluorescein
CAS: 2321-07-5 Molecular Formula: C20H12O5 Molecular Weight (g/mol): 332.31 MDL Number: MFCD00005050 InChI Key: GNBHRKFJIUUOQI-UHFFFAOYSA-N Synonym: fluorescein,solvent yellow 94,resorcinolphthalein,yellow fluorescein,3,6-fluorandiol,d and c yellow no. 7,fluoresceine,japan yellow 201,c.i. solvent yellow 94,d&c yellow no. 7 PubChem CID: 16850 ChEBI: CHEBI:31624 IUPAC Name: 3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one SMILES: C1=CC=C2C(=C1)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O
| PubChem CID | 16850 |
|---|---|
| CAS | 2321-07-5 |
| Molecular Weight (g/mol) | 332.31 |
| ChEBI | CHEBI:31624 |
| MDL Number | MFCD00005050 |
| SMILES | C1=CC=C2C(=C1)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O |
| Synonym | fluorescein,solvent yellow 94,resorcinolphthalein,yellow fluorescein,3,6-fluorandiol,d and c yellow no. 7,fluoresceine,japan yellow 201,c.i. solvent yellow 94,d&c yellow no. 7 |
| IUPAC Name | 3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one |
| InChI Key | GNBHRKFJIUUOQI-UHFFFAOYSA-N |
| Molecular Formula | C20H12O5 |
Thermo Scientific Chemicals Adenine, 99%
CAS: 73-24-5 Molecular Formula: C5H5N5 Molecular Weight (g/mol): 135.13 MDL Number: MFCD00041790 InChI Key: GFFGJBXGBJISGV-UHFFFAOYSA-N Synonym: adenine,1h-purin-6-amine,6-aminopurine,9h-purin-6-amine,vitamin b4,adenin,adeninimine,leuco-4,6-amino-1h-purine,6-amino-3h-purine PubChem CID: 190 ChEBI: CHEBI:16708 IUPAC Name: 7H-purin-6-amine SMILES: NC1=C2NC=NC2=NC=N1
| PubChem CID | 190 |
|---|---|
| CAS | 73-24-5 |
| Molecular Weight (g/mol) | 135.13 |
| ChEBI | CHEBI:16708 |
| MDL Number | MFCD00041790 |
| SMILES | NC1=C2NC=NC2=NC=N1 |
| Synonym | adenine,1h-purin-6-amine,6-aminopurine,9h-purin-6-amine,vitamin b4,adenin,adeninimine,leuco-4,6-amino-1h-purine,6-amino-3h-purine |
| IUPAC Name | 7H-purin-6-amine |
| InChI Key | GFFGJBXGBJISGV-UHFFFAOYSA-N |
| Molecular Formula | C5H5N5 |
Thermo Scientific Chemicals Rose Bengal
CAS: 632-69-9 Molecular Formula: C20H4Cl4I4Na2O5 Molecular Weight (g/mol): 1019.644 MDL Number: MFCD00151169 InChI Key: DPBQSRZQYAYDGY-UHFFFAOYSA-N Synonym: rose bengal disodium salt,r105 sodium,rose bengal sodium,rose-bengal 131 i natrium,food red no. 105, sodium salt,food red color no. 105, sodium salt,rosa bengala sodica 131 i inn-spanish,rose bengale 131 i sodique inn-french,sel disodique de rose bengale iodee 131 i,roseum bengalense 131 i natricum inn-latin PubChem CID: 87244310 IUPAC Name: sodium;4,5,6,7-tetrachloro-3',6'-dihydroxy-2',4',5',7'-tetraiodospiro[2-benzofuran-3,9'-xanthene]-1-one SMILES: C1=C2C(=C(C(=C1I)O)I)OC3=C(C(=C(C=C3C24C5=C(C(=C(C(=C5Cl)Cl)Cl)Cl)C(=O)O4)I)O)I.[Na].[Na]
| PubChem CID | 87244310 |
|---|---|
| CAS | 632-69-9 |
| Molecular Weight (g/mol) | 1019.644 |
| MDL Number | MFCD00151169 |
| SMILES | C1=C2C(=C(C(=C1I)O)I)OC3=C(C(=C(C=C3C24C5=C(C(=C(C(=C5Cl)Cl)Cl)Cl)C(=O)O4)I)O)I.[Na].[Na] |
| Synonym | rose bengal disodium salt,r105 sodium,rose bengal sodium,rose-bengal 131 i natrium,food red no. 105, sodium salt,food red color no. 105, sodium salt,rosa bengala sodica 131 i inn-spanish,rose bengale 131 i sodique inn-french,sel disodique de rose bengale iodee 131 i,roseum bengalense 131 i natricum inn-latin |
| IUPAC Name | sodium;4,5,6,7-tetrachloro-3',6'-dihydroxy-2',4',5',7'-tetraiodospiro[2-benzofuran-3,9'-xanthene]-1-one |
| InChI Key | DPBQSRZQYAYDGY-UHFFFAOYSA-N |
| Molecular Formula | C20H4Cl4I4Na2O5 |
Phthalic anhydride, ACS reagent
CAS: 85-44-9 Molecular Formula: C8H4O3 Molecular Weight (g/mol): 148.12 MDL Number: MFCD00005918 InChI Key: LGRFSURHDFAFJT-UHFFFAOYSA-N Synonym: phthalic anhydride,isobenzofuran-1,3-dione,1,3-isobenzofurandione,1,3-dioxophthalan,1,3-phthalandione,phthalsaeureanhydrid,phthalic acid anhydride,o-phthalic acid anhydride,phthalandione,retarder esen PubChem CID: 6811 ChEBI: CHEBI:36605 SMILES: O=C1OC(=O)C2=CC=CC=C12
| PubChem CID | 6811 |
|---|---|
| CAS | 85-44-9 |
| Molecular Weight (g/mol) | 148.12 |
| ChEBI | CHEBI:36605 |
| MDL Number | MFCD00005918 |
| SMILES | O=C1OC(=O)C2=CC=CC=C12 |
| Synonym | phthalic anhydride,isobenzofuran-1,3-dione,1,3-isobenzofurandione,1,3-dioxophthalan,1,3-phthalandione,phthalsaeureanhydrid,phthalic acid anhydride,o-phthalic acid anhydride,phthalandione,retarder esen |
| InChI Key | LGRFSURHDFAFJT-UHFFFAOYSA-N |
| Molecular Formula | C8H4O3 |
2-Methylimidazole, 99%
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 |
1,8-Diazabicyclo[5.4.0]-7-undecene 98.0+%, TCI America™
CAS: 6674-22-2 Molecular Formula: C9H16N2 Molecular Weight (g/mol): 152.241 MDL Number: MFCD00006930 InChI Key: GQHTUMJGOHRCHB-UHFFFAOYSA-N Synonym: 1,8-diazabicyclo 5.4.0 undec-7-ene,2,3,4,6,7,8,9,10-octahydropyrimido 1,2-a azepine,polycat dbu,dbu,unii-h1ilj6ibux,pyrimido 1,2-a azepine, 2,3,4,6,7,8,9,10-octahydro,1,8-diazabicyclo 5.4.0-7-undecene,h1ilj6ibux,1,8-diazabicyclo 5,4,0 undec-7-ene PubChem CID: 81184 IUPAC Name: 2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine SMILES: C1CCC2=NCCCN2CC1
| PubChem CID | 81184 |
|---|---|
| CAS | 6674-22-2 |
| Molecular Weight (g/mol) | 152.241 |
| MDL Number | MFCD00006930 |
| SMILES | C1CCC2=NCCCN2CC1 |
| Synonym | 1,8-diazabicyclo 5.4.0 undec-7-ene,2,3,4,6,7,8,9,10-octahydropyrimido 1,2-a azepine,polycat dbu,dbu,unii-h1ilj6ibux,pyrimido 1,2-a azepine, 2,3,4,6,7,8,9,10-octahydro,1,8-diazabicyclo 5.4.0-7-undecene,h1ilj6ibux,1,8-diazabicyclo 5,4,0 undec-7-ene |
| IUPAC Name | 2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine |
| InChI Key | GQHTUMJGOHRCHB-UHFFFAOYSA-N |
| Molecular Formula | C9H16N2 |
Thiamine Hydrochloride, Powder, MP Biomedicals
CAS: 67-03-8 Molecular Formula: C12H17ClN4OS·HCl Molecular Weight (g/mol): 337.263 MDL Number: MFCD00012780 InChI Key: UIERGBJEBXXIGO-UHFFFAOYSA-N Synonym: Aneurine hydrochloride,Vitamin B1 hydrochloride,Vitamin B1 HCl PubChem CID: 10762 SMILES: [O-][N+]([O-])=O.CC1=C(CCO)[S+]=CN1CC1=CN=C(C)N=C1N
| PubChem CID | 10762 |
|---|---|
| CAS | 67-03-8 |
| Molecular Weight (g/mol) | 337.263 |
| MDL Number | MFCD00012780 |
| SMILES | [O-][N+]([O-])=O.CC1=C(CCO)[S+]=CN1CC1=CN=C(C)N=C1N |
| Synonym | Aneurine hydrochloride,Vitamin B1 hydrochloride,Vitamin B1 HCl |
| InChI Key | UIERGBJEBXXIGO-UHFFFAOYSA-N |
| Molecular Formula | C12H17ClN4OS·HCl |
3-Isobutyl-1-methylxanthine
CAS: 28822-58-4 Molecular Formula: C10H14N4O2 Molecular Weight (g/mol): 222.25 MDL Number: MFCD00005584 InChI Key: APIXJSLKIYYUKG-UHFFFAOYSA-N Synonym: 3-isobutyl-1-methylxanthine,ibmx,isobutylmethylxanthine,1-methyl-3-isobutylxanthine,methylisobutylxanthine,3-isobutyl-1-methyl-1h-purine-2,6 3h,7h-dione,xanthine, 3-isobutyl-1-methyl,3-isobutyl-1-methyxanthine,1h-purine-2,6-dione, 3,7-dihydro-1-methyl-3-2-methylpropyl,methyl-isobutylxanthine PubChem CID: 3758 ChEBI: CHEBI:43253 IUPAC Name: 1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione SMILES: CC(C)CN1C2=C(NC=N2)C(=O)N(C)C1=O
| PubChem CID | 3758 |
|---|---|
| CAS | 28822-58-4 |
| Molecular Weight (g/mol) | 222.25 |
| ChEBI | CHEBI:43253 |
| MDL Number | MFCD00005584 |
| SMILES | CC(C)CN1C2=C(NC=N2)C(=O)N(C)C1=O |
| Synonym | 3-isobutyl-1-methylxanthine,ibmx,isobutylmethylxanthine,1-methyl-3-isobutylxanthine,methylisobutylxanthine,3-isobutyl-1-methyl-1h-purine-2,6 3h,7h-dione,xanthine, 3-isobutyl-1-methyl,3-isobutyl-1-methyxanthine,1h-purine-2,6-dione, 3,7-dihydro-1-methyl-3-2-methylpropyl,methyl-isobutylxanthine |
| IUPAC Name | 1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione |
| InChI Key | APIXJSLKIYYUKG-UHFFFAOYSA-N |
| Molecular Formula | C10H14N4O2 |
Pyrrole, 99%, extra pure
CAS: 109-97-7 Molecular Formula: C4H5N Molecular Weight (g/mol): 67.09 MDL Number: MFCD00005216 InChI Key: KAESVJOAVNADME-UHFFFAOYSA-N Synonym: pyrrole,divinylenimine,azole,imidole,pyrrol,monopyrrole,divinyleneimine,1-aza-2,4-cyclopentadiene,polypyrrole,unii-86s1zd6l2c PubChem CID: 8027 ChEBI: CHEBI:19203 IUPAC Name: 1H-pyrrole SMILES: N1C=CC=C1
| PubChem CID | 8027 |
|---|---|
| CAS | 109-97-7 |
| Molecular Weight (g/mol) | 67.09 |
| ChEBI | CHEBI:19203 |
| MDL Number | MFCD00005216 |
| SMILES | N1C=CC=C1 |
| Synonym | pyrrole,divinylenimine,azole,imidole,pyrrol,monopyrrole,divinyleneimine,1-aza-2,4-cyclopentadiene,polypyrrole,unii-86s1zd6l2c |
| IUPAC Name | 1H-pyrrole |
| InChI Key | KAESVJOAVNADME-UHFFFAOYSA-N |
| Molecular Formula | C4H5N |
Thermo Scientific Chemicals Phenol Red
CAS: 143-74-8 Molecular Formula: C19H14O5S Molecular Weight (g/mol): 354.38 MDL Number: MFCD00003552 InChI Key: BELBBZDIHDAJOR-UHFFFAOYSA-N Synonym: phenol red,phenolsulfonphthalein,fenolipuna,sulfonphthal,sulphental,sulphonthal,phenolsulphonphthalein,psp indicator,phenolsulfonephthalein,unii-i6g9y0j1oj PubChem CID: 4766 ChEBI: CHEBI:31991 SMILES: OC1=CC=C(C=C1)C1(OS(=O)(=O)C2=CC=CC=C12)C1=CC=C(O)C=C1
| PubChem CID | 4766 |
|---|---|
| CAS | 143-74-8 |
| Molecular Weight (g/mol) | 354.38 |
| ChEBI | CHEBI:31991 |
| MDL Number | MFCD00003552 |
| SMILES | OC1=CC=C(C=C1)C1(OS(=O)(=O)C2=CC=CC=C12)C1=CC=C(O)C=C1 |
| Synonym | phenol red,phenolsulfonphthalein,fenolipuna,sulfonphthal,sulphental,sulphonthal,phenolsulphonphthalein,psp indicator,phenolsulfonephthalein,unii-i6g9y0j1oj |
| InChI Key | BELBBZDIHDAJOR-UHFFFAOYSA-N |
| Molecular Formula | C19H14O5S |
Uric acid, 99%, Thermo Scientific Chemicals
CAS: 69-93-2 Molecular Formula: C5H4N4O3 Molecular Weight (g/mol): 168.112 MDL Number: MFCD00005712 InChI Key: LEHOTFFKMJEONL-UHFFFAOYSA-N Synonym: uric acid,urate,2,6,8-trioxypurine,lithic acid,2,6,8-trihydroxypurine,2,6,8-trioxopurine,1h-purine-2,6,8-triol,8-hydroxyxanthine,7,9-dihydro-1h-purine-2,6,8 3h-trione,1h-purine-2,6,8 3h-trione, 7,9-dihydro PubChem CID: 1175 ChEBI: CHEBI:17775 IUPAC Name: 7,9-dihydro-3H-purine-2,6,8-trione SMILES: C12=C(NC(=O)N1)NC(=O)NC2=O
| PubChem CID | 1175 |
|---|---|
| CAS | 69-93-2 |
| Molecular Weight (g/mol) | 168.112 |
| ChEBI | CHEBI:17775 |
| MDL Number | MFCD00005712 |
| SMILES | C12=C(NC(=O)N1)NC(=O)NC2=O |
| Synonym | uric acid,urate,2,6,8-trioxypurine,lithic acid,2,6,8-trihydroxypurine,2,6,8-trioxopurine,1h-purine-2,6,8-triol,8-hydroxyxanthine,7,9-dihydro-1h-purine-2,6,8 3h-trione,1h-purine-2,6,8 3h-trione, 7,9-dihydro |
| IUPAC Name | 7,9-dihydro-3H-purine-2,6,8-trione |
| InChI Key | LEHOTFFKMJEONL-UHFFFAOYSA-N |
| Molecular Formula | C5H4N4O3 |
1,10-Phenanthroline monohydrate, 99+%
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 |