Organoheterocyclic compounds
Filtered Search Results
Isophthalic acid, 99%
CAS: 121-91-5 Molecular Formula: C8H6O4 Molecular Weight (g/mol): 166.132 MDL Number: MFCD00002516 InChI Key: QQVIHTHCMHWDBS-UHFFFAOYSA-N Synonym: isophthalic acid,1,3-benzenedicarboxylic acid,m-phthalic acid,m-benzenedicarboxylic acid,acide isophtalique,kyselina isoftalova,iso-phthalic acid,acide isophtalique french,kyselina isoftalova czech,unii-x35216h9fj PubChem CID: 8496 ChEBI: CHEBI:30802 IUPAC Name: benzene-1,3-dicarboxylic acid SMILES: C1=CC(=CC(=C1)C(=O)O)C(=O)O
| PubChem CID | 8496 |
|---|---|
| CAS | 121-91-5 |
| Molecular Weight (g/mol) | 166.132 |
| ChEBI | CHEBI:30802 |
| MDL Number | MFCD00002516 |
| SMILES | C1=CC(=CC(=C1)C(=O)O)C(=O)O |
| Synonym | isophthalic acid,1,3-benzenedicarboxylic acid,m-phthalic acid,m-benzenedicarboxylic acid,acide isophtalique,kyselina isoftalova,iso-phthalic acid,acide isophtalique french,kyselina isoftalova czech,unii-x35216h9fj |
| IUPAC Name | benzene-1,3-dicarboxylic acid |
| InChI Key | QQVIHTHCMHWDBS-UHFFFAOYSA-N |
| Molecular Formula | C8H6O4 |
Guanosine, 99%
CAS: 118-00-3 Molecular Formula: C10H13N5O5 Molecular Weight (g/mol): 283.24 MDL Number: MFCD00010182 InChI Key: NYHBQMYGNKIUIF-UUOKFMHZSA-N Synonym: guanosine,guanine riboside,vernine,guanozin,guanosin,inosine, 2-amino,usaf cb-11,vernine van,l-guanosine,9-beta-d-ribofuranosylguanine PubChem CID: 6802 ChEBI: CHEBI:16750 SMILES: NC1=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(=O)N1
| PubChem CID | 6802 |
|---|---|
| CAS | 118-00-3 |
| Molecular Weight (g/mol) | 283.24 |
| ChEBI | CHEBI:16750 |
| MDL Number | MFCD00010182 |
| SMILES | NC1=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(=O)N1 |
| Synonym | guanosine,guanine riboside,vernine,guanozin,guanosin,inosine, 2-amino,usaf cb-11,vernine van,l-guanosine,9-beta-d-ribofuranosylguanine |
| InChI Key | NYHBQMYGNKIUIF-UUOKFMHZSA-N |
| Molecular Formula | C10H13N5O5 |
Thermo Scientific Chemicals Itraconazole, 99%
CAS: 84625-61-6 Molecular Formula: C35H38Cl2N8O4 Molecular Weight (g/mol): 705.64 MDL Number: MFCD00870168,MFCD00941396 InChI Key: VHVPQPYKVGDNFY-ZPGVKDDISA-N Synonym: itraconazole-d5,itraconazole,oriconazole-d5,triasporin-d5,sporamelt-d5,itrizole-d5,sporanox-d5,+/--4-4-4-4-2r,4s-2,4-dichlorophenyl-2-1h-1,2,4-triazol-1-ylmethyl-1,3-dioxolan-4-yl methoxy phenyl-1-piperazinyl phenyl-2,4-dihydro-2-1-methylpropyl-d5-3h-1,2,4-triazol-3-one,2h5-4-4-4-4-2-1h-1,2,4-triazol-1-yl methyl-2-2,4-dichlorophenyl-1,3-dioxolan-4-yl methoxy phenyl piperazin-1-yl phenyl-1-sec-butyl-1h-1,2,4-triazol-5 4h-one,2-3,3,4,4,4-2 h? butan-2-yl-4-4-4-4-2r,4s-2-2,4-dichlorophenyl-2-1,2,4-triazol-1-ylmethyl-1,3-dioxolan-4-yl methoxy phenyl piperazin-1-yl phenyl-1,2,4-triazol-3-one PubChem CID: 45039617 IUPAC Name: 4-[4-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-(3,3,4,4,4-pentadeuteriobutan-2-yl)-1,2,4-triazol-3-one SMILES: CCC(C)N1N=CN(C1=O)C1=CC=C(C=C1)N1CCN(CC1)C1=CC=C(OC[C@H]2CO[C@@](CN3C=NC=N3)(O2)C2=CC=C(Cl)C=C2Cl)C=C1
| PubChem CID | 45039617 |
|---|---|
| CAS | 84625-61-6 |
| Molecular Weight (g/mol) | 705.64 |
| MDL Number | MFCD00870168,MFCD00941396 |
| SMILES | CCC(C)N1N=CN(C1=O)C1=CC=C(C=C1)N1CCN(CC1)C1=CC=C(OC[C@H]2CO[C@@](CN3C=NC=N3)(O2)C2=CC=C(Cl)C=C2Cl)C=C1 |
| Synonym | itraconazole-d5,itraconazole,oriconazole-d5,triasporin-d5,sporamelt-d5,itrizole-d5,sporanox-d5,+/--4-4-4-4-2r,4s-2,4-dichlorophenyl-2-1h-1,2,4-triazol-1-ylmethyl-1,3-dioxolan-4-yl methoxy phenyl-1-piperazinyl phenyl-2,4-dihydro-2-1-methylpropyl-d5-3h-1,2,4-triazol-3-one,2h5-4-4-4-4-2-1h-1,2,4-triazol-1-yl methyl-2-2,4-dichlorophenyl-1,3-dioxolan-4-yl methoxy phenyl piperazin-1-yl phenyl-1-sec-butyl-1h-1,2,4-triazol-5 4h-one,2-3,3,4,4,4-2 h? butan-2-yl-4-4-4-4-2r,4s-2-2,4-dichlorophenyl-2-1,2,4-triazol-1-ylmethyl-1,3-dioxolan-4-yl methoxy phenyl piperazin-1-yl phenyl-1,2,4-triazol-3-one |
| IUPAC Name | 4-[4-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-(3,3,4,4,4-pentadeuteriobutan-2-yl)-1,2,4-triazol-3-one |
| InChI Key | VHVPQPYKVGDNFY-ZPGVKDDISA-N |
| Molecular Formula | C35H38Cl2N8O4 |
Thermo Scientific Chemicals Adenine sulfate, 98+%
CAS: 321-30-2 Molecular Formula: C10H12N10O4S Molecular Weight (g/mol): 368.33 MDL Number: MFCD00213655 InChI Key: LQXHSCOPYJCOMD-UHFFFAOYSA-N Synonym: adenine sulfate,adenine hemisulfate,7h-purin-6-amine sulfate 2:1,adeninsulfat,adeninium sulfate,adenine sulfate 2:1,adeninsulfat german,1h-purin-6-amine, sulfate 2:1,diadenine sulphate,unii-741gjf3k9m PubChem CID: 9449 IUPAC Name: 7H-purin-6-amine;sulfuric acid SMILES: OS(O)(=O)=O.NC1=C2NC=NC2=NC=N1.NC1=C2NC=NC2=NC=N1
| PubChem CID | 9449 |
|---|---|
| CAS | 321-30-2 |
| Molecular Weight (g/mol) | 368.33 |
| MDL Number | MFCD00213655 |
| SMILES | OS(O)(=O)=O.NC1=C2NC=NC2=NC=N1.NC1=C2NC=NC2=NC=N1 |
| Synonym | adenine sulfate,adenine hemisulfate,7h-purin-6-amine sulfate 2:1,adeninsulfat,adeninium sulfate,adenine sulfate 2:1,adeninsulfat german,1h-purin-6-amine, sulfate 2:1,diadenine sulphate,unii-741gjf3k9m |
| IUPAC Name | 7H-purin-6-amine;sulfuric acid |
| InChI Key | LQXHSCOPYJCOMD-UHFFFAOYSA-N |
| Molecular Formula | C10H12N10O4S |
Melamine, 99%
CAS: 108-78-1 Molecular Formula: C3H6N6 Molecular Weight (g/mol): 126.12 MDL Number: MFCD00006055 InChI Key: JDSHMPZPIAZGSV-UHFFFAOYSA-N Synonym: melamine,cyanurotriamide,cyanuramide,cyanurotriamine,isomelamine,theoharn,teoharn,triaminotriazine,cyanuric triamide,hicophor pr PubChem CID: 7955 ChEBI: CHEBI:27915 IUPAC Name: 1,3,5-triazine-2,4,6-triamine SMILES: NC1=NC(N)=NC(N)=N1
| PubChem CID | 7955 |
|---|---|
| CAS | 108-78-1 |
| Molecular Weight (g/mol) | 126.12 |
| ChEBI | CHEBI:27915 |
| MDL Number | MFCD00006055 |
| SMILES | NC1=NC(N)=NC(N)=N1 |
| Synonym | melamine,cyanurotriamide,cyanuramide,cyanurotriamine,isomelamine,theoharn,teoharn,triaminotriazine,cyanuric triamide,hicophor pr |
| IUPAC Name | 1,3,5-triazine-2,4,6-triamine |
| InChI Key | JDSHMPZPIAZGSV-UHFFFAOYSA-N |
| Molecular Formula | C3H6N6 |
N-Bromosuccinimide, 99%
CAS: 128-08-5 MDL Number: MFCD00005510 InChI Key: PCLIMKBDDGJMGD-UHFFFAOYSA-N Synonym: n-bromosuccinimide,succinbromimide,succinbromide,succinibromimide,n-bromosuccimide,2,5-pyrrolidinedione, 1-bromo,1-bromo-2,5-pyrrolidinedione,bromosuccinimide,nbs,n-bromo succinimide PubChem CID: 67184 ChEBI: CHEBI:53174 IUPAC Name: 1-bromopyrrolidine-2,5-dione SMILES: C1CC(=O)N(C1=O)Br
| PubChem CID | 67184 |
|---|---|
| CAS | 128-08-5 |
| ChEBI | CHEBI:53174 |
| MDL Number | MFCD00005510 |
| SMILES | C1CC(=O)N(C1=O)Br |
| Synonym | n-bromosuccinimide,succinbromimide,succinbromide,succinibromimide,n-bromosuccimide,2,5-pyrrolidinedione, 1-bromo,1-bromo-2,5-pyrrolidinedione,bromosuccinimide,nbs,n-bromo succinimide |
| IUPAC Name | 1-bromopyrrolidine-2,5-dione |
| InChI Key | PCLIMKBDDGJMGD-UHFFFAOYSA-N |
6-Aminonicotinic acid, 98%
CAS: 3167-49-5 Molecular Formula: C6H6N2O2 Molecular Weight (g/mol): 138.13 MDL Number: MFCD00006326 InChI Key: ZCIFWRHIEBXBOY-UHFFFAOYSA-N Synonym: 6-aminonicotinic acid,3-pyridinecarboxylic acid, 6-amino,2-amino-5-pyridinecarboxylic acid,6-amino-nicotinic acid,6-amino nicotinic acid,2-aminopyridine-5-carboxylic acid,nicotinic acid, 6-amino,unii-9vr2o1ok60,6-amino-3-pyridinecarboxylic acid,6-aminopyridine 3-carboxylic acid PubChem CID: 18496 ChEBI: CHEBI:68583 IUPAC Name: 6-aminopyridine-3-carboxylic acid SMILES: C1=CC(=NC=C1C(=O)O)N
| PubChem CID | 18496 |
|---|---|
| CAS | 3167-49-5 |
| Molecular Weight (g/mol) | 138.13 |
| ChEBI | CHEBI:68583 |
| MDL Number | MFCD00006326 |
| SMILES | C1=CC(=NC=C1C(=O)O)N |
| Synonym | 6-aminonicotinic acid,3-pyridinecarboxylic acid, 6-amino,2-amino-5-pyridinecarboxylic acid,6-amino-nicotinic acid,6-amino nicotinic acid,2-aminopyridine-5-carboxylic acid,nicotinic acid, 6-amino,unii-9vr2o1ok60,6-amino-3-pyridinecarboxylic acid,6-aminopyridine 3-carboxylic acid |
| IUPAC Name | 6-aminopyridine-3-carboxylic acid |
| InChI Key | ZCIFWRHIEBXBOY-UHFFFAOYSA-N |
| Molecular Formula | C6H6N2O2 |
5-Aminopyridine-2-carboxylic acid, 98%, Thermo Scientific™
CAS: 24242-20-4 Molecular Formula: C6H6N2O2 Molecular Weight (g/mol): 138.13 InChI Key: WDJARUKOMOGTHA-UHFFFAOYSA-N Synonym: 5-amino-2-pyridinecarboxylic acid,5-aminopicolinic acid,5-amino-2-picolinic acid,2-pyridinecarboxylic acid, 5-amino,5-amino-pyridine-2-carboxylic acid,5-amino-2-pyridinecarboxylicacid,pubchem15896,5-amino-2-carboxypyridine,acmc-209ga3,ksc201o9n PubChem CID: 4179726 IUPAC Name: 5-aminopyridine-2-carboxylic acid SMILES: C1=CC(=NC=C1N)C(=O)O
| PubChem CID | 4179726 |
|---|---|
| CAS | 24242-20-4 |
| Molecular Weight (g/mol) | 138.13 |
| SMILES | C1=CC(=NC=C1N)C(=O)O |
| Synonym | 5-amino-2-pyridinecarboxylic acid,5-aminopicolinic acid,5-amino-2-picolinic acid,2-pyridinecarboxylic acid, 5-amino,5-amino-pyridine-2-carboxylic acid,5-amino-2-pyridinecarboxylicacid,pubchem15896,5-amino-2-carboxypyridine,acmc-209ga3,ksc201o9n |
| IUPAC Name | 5-aminopyridine-2-carboxylic acid |
| InChI Key | WDJARUKOMOGTHA-UHFFFAOYSA-N |
| Molecular Formula | C6H6N2O2 |
Thiamine Hydrochloride, Powder, MP Biomedicals
CAS: 67-03-8 Molecular Formula: C12H17ClN4OS·HCl Molecular Weight (g/mol): 337.263 MDL Number: MFCD00012780 Synonym: Aneurine hydrochloride,Vitamin B1 hydrochloride,Vitamin B1 HCl,vitamin b1 mononitrate,aneurine mononitrate,aneurine nitrate,betabion mononitrate,thiamine nitrate salt,vitamin b sub 1 nitrate,thiamine mononitrate usp
| CAS | 67-03-8 |
|---|---|
| Molecular Weight (g/mol) | 337.263 |
| MDL Number | MFCD00012780 |
| Synonym | Aneurine hydrochloride,Vitamin B1 hydrochloride,Vitamin B1 HCl,vitamin b1 mononitrate,aneurine mononitrate,aneurine nitrate,betabion mononitrate,thiamine nitrate salt,vitamin b sub 1 nitrate,thiamine mononitrate usp |
| Molecular Formula | C12H17ClN4OS·HCl |
1,10-Phenanthroline monohydrate, ACS reagent
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 |
Indole-3-Butyric Acid Potassium Salt, MP Biomedicals™
Molecular Formula: C12H12KNO2 Molecular Weight (g/mol): 241.331 MDL Number: MFCD00058442 InChI Key: KTWDHJYSJOSTSJ-UHFFFAOYSA-M Synonym: potassium 4-1h-indol-3-yl butanoate,indole-3-butyric acid potassium salt,indole-3-butyric acid potassium,4-indol-3-ylbutanoic acid, potassium salt,potassium indolebutyrate,pubchem22140,cambridge id 5119461,potassium ion indole-3 butyrate,indole-3-butyric acid-potassium salt,3-indole butyric acid, potassium salt PubChem CID: 23664348 IUPAC Name: potassium;4-(1H-indol-3-yl)butanoate SMILES: C1=CC=C2C(=C1)C(=CN2)CCCC(=O)[O-].[K+]
| PubChem CID | 23664348 |
|---|---|
| Molecular Weight (g/mol) | 241.331 |
| MDL Number | MFCD00058442 |
| SMILES | C1=CC=C2C(=C1)C(=CN2)CCCC(=O)[O-].[K+] |
| Synonym | potassium 4-1h-indol-3-yl butanoate,indole-3-butyric acid potassium salt,indole-3-butyric acid potassium,4-indol-3-ylbutanoic acid, potassium salt,potassium indolebutyrate,pubchem22140,cambridge id 5119461,potassium ion indole-3 butyrate,indole-3-butyric acid-potassium salt,3-indole butyric acid, potassium salt |
| IUPAC Name | potassium;4-(1H-indol-3-yl)butanoate |
| InChI Key | KTWDHJYSJOSTSJ-UHFFFAOYSA-M |
| Molecular Formula | C12H12KNO2 |
1,5-Diazabicyclo[4.3.0]non-5-ene, 98%
CAS: 3001-72-7 Molecular Formula: C7H12N2 Molecular Weight (g/mol): 124.19 MDL Number: MFCD00005554 InChI Key: SGUVLZREKBPKCE-UHFFFAOYSA-N Synonym: 1,5-diazabicyclo 4.3.0 non-5-ene,2,3,4,6,7,8-hexahydropyrrolo 1,2-a pyrimidine,unii-978m4ol12q,2h,3h,4h,6h,7h,8h-pyrrolo 1,2-a pyrimidine,pyrrolo 1,2-a pyrimidine, 2,3,4,6,7,8-hexahydro,1,5-diazabicyclo 4,3,0 non-5-ene,1,5-diazabicyclo 4.3.0-5-nonene,1,5-diazabicyclo-4.3.0 non-5-ene PubChem CID: 76349 IUPAC Name: 2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine SMILES: C1CN2CCCN=C2C1
| PubChem CID | 76349 |
|---|---|
| CAS | 3001-72-7 |
| Molecular Weight (g/mol) | 124.19 |
| MDL Number | MFCD00005554 |
| SMILES | C1CN2CCCN=C2C1 |
| Synonym | 1,5-diazabicyclo 4.3.0 non-5-ene,2,3,4,6,7,8-hexahydropyrrolo 1,2-a pyrimidine,unii-978m4ol12q,2h,3h,4h,6h,7h,8h-pyrrolo 1,2-a pyrimidine,pyrrolo 1,2-a pyrimidine, 2,3,4,6,7,8-hexahydro,1,5-diazabicyclo 4,3,0 non-5-ene,1,5-diazabicyclo 4.3.0-5-nonene,1,5-diazabicyclo-4.3.0 non-5-ene |
| IUPAC Name | 2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine |
| InChI Key | SGUVLZREKBPKCE-UHFFFAOYSA-N |
| Molecular Formula | C7H12N2 |
Carbazole, 96%
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 |
Famotidine, 98+%
CAS: 76824-35-6 Molecular Formula: C8H15N7O2S3 Molecular Weight (g/mol): 337.435 MDL Number: MFCD00079297 InChI Key: XUFQPHANEAPEMJ-UHFFFAOYSA-N Synonym: famotidine,pepcid ac,apogastine,amfamox,antodine,bestidine,digervin,dispromil,famodil,gastridin PubChem CID: 5702160 ChEBI: CHEBI:4975 IUPAC Name: 3-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]-N'-sulfamoylpropanimidamide SMILES: C1=C(N=C(S1)N=C(N)N)CSCCC(=NS(=O)(=O)N)N
| PubChem CID | 5702160 |
|---|---|
| CAS | 76824-35-6 |
| Molecular Weight (g/mol) | 337.435 |
| ChEBI | CHEBI:4975 |
| MDL Number | MFCD00079297 |
| SMILES | C1=C(N=C(S1)N=C(N)N)CSCCC(=NS(=O)(=O)N)N |
| Synonym | famotidine,pepcid ac,apogastine,amfamox,antodine,bestidine,digervin,dispromil,famodil,gastridin |
| IUPAC Name | 3-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]-N'-sulfamoylpropanimidamide |
| InChI Key | XUFQPHANEAPEMJ-UHFFFAOYSA-N |
| Molecular Formula | C8H15N7O2S3 |
6-chloropyridine-2-carboxylic acid, 97%
CAS: 4684-94-0 Molecular Formula: C6H4ClNO2 Molecular Weight (g/mol): 157.56 InChI Key: ZLKMOIHCHCMSFW-UHFFFAOYSA-N Synonym: 6-chloropicolinic acid,2-chloro-6-pyridinecarboxylic acid,6-chloro-2-pyridinecarboxylic acid,2-pyridinecarboxylic acid, 6-chloro,2-chloropyridine-6-carboxylic acid,6-chloro-2-picolinic acid,6-cpa,picolinic acid, 6-chloro,6-chloro-2-carboxy-pyridine,caswell no. 214b PubChem CID: 20812 IUPAC Name: 6-chloropyridine-2-carboxylic acid SMILES: C1=CC(=NC(=C1)Cl)C(=O)O
| PubChem CID | 20812 |
|---|---|
| CAS | 4684-94-0 |
| Molecular Weight (g/mol) | 157.56 |
| SMILES | C1=CC(=NC(=C1)Cl)C(=O)O |
| Synonym | 6-chloropicolinic acid,2-chloro-6-pyridinecarboxylic acid,6-chloro-2-pyridinecarboxylic acid,2-pyridinecarboxylic acid, 6-chloro,2-chloropyridine-6-carboxylic acid,6-chloro-2-picolinic acid,6-cpa,picolinic acid, 6-chloro,6-chloro-2-carboxy-pyridine,caswell no. 214b |
| IUPAC Name | 6-chloropyridine-2-carboxylic acid |
| InChI Key | ZLKMOIHCHCMSFW-UHFFFAOYSA-N |
| Molecular Formula | C6H4ClNO2 |