Organoheterocyclic compounds
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2-sec-Butylthiazole, 98+%
CAS: 18277-27-5 Molecular Formula: C7H11NS Molecular Weight (g/mol): 141.23 MDL Number: MFCD00051951 InChI Key: MHJSWOZJMPIGJQ-UHFFFAOYNA-N Synonym: 2-sec-butylthiazole,2-sec-butyl thiazole,2-1-methylpropyl thiazole,2-1-methylpropyl-thiazole,thiazole, 2-1-methylpropyl,2-butan-2-yl-1,3-thiazole,thiazole, 2-sec-butyl,fema no. 3372,2-s-butylthiazole PubChem CID: 519539 IUPAC Name: 2-butan-2-yl-1,3-thiazole SMILES: CCC(C)C1=NC=CS1
| PubChem CID | 519539 |
|---|---|
| CAS | 18277-27-5 |
| Molecular Weight (g/mol) | 141.23 |
| MDL Number | MFCD00051951 |
| SMILES | CCC(C)C1=NC=CS1 |
| Synonym | 2-sec-butylthiazole,2-sec-butyl thiazole,2-1-methylpropyl thiazole,2-1-methylpropyl-thiazole,thiazole, 2-1-methylpropyl,2-butan-2-yl-1,3-thiazole,thiazole, 2-sec-butyl,fema no. 3372,2-s-butylthiazole |
| IUPAC Name | 2-butan-2-yl-1,3-thiazole |
| InChI Key | MHJSWOZJMPIGJQ-UHFFFAOYNA-N |
| Molecular Formula | C7H11NS |
2-Methyl-4-(4-morpholinyl)benzenamine, 97%
CAS: 581-00-0 Molecular Formula: C11H16N2O Molecular Weight (g/mol): 192.26 MDL Number: MFCD10686817 InChI Key: ZGJUJDQANIYVAL-UHFFFAOYSA-N Synonym: 2-methyl-4-morpholin-4-yl aniline,2-methyl-4-morpholinoaniline,2-methyl-4-4-morpholinyl aniline,4-p-amino-m-tolyl morpholine,4-4-morpholinyl-2-methylaniline,2-methyl4-4-morpholinyl benzenamine,n-4-amino-3-methylphenyl morpholine,2-methyl-4-4-morpholinyl benzenamine,2-methyl-4-morpholin-4-yl-phenylamine,benzenamine, 2-methyl-4-4-morpholinyl PubChem CID: 21955000 IUPAC Name: 2-methyl-4-morpholin-4-ylaniline SMILES: CC1=C(C=CC(=C1)N2CCOCC2)N
| PubChem CID | 21955000 |
|---|---|
| CAS | 581-00-0 |
| Molecular Weight (g/mol) | 192.26 |
| MDL Number | MFCD10686817 |
| SMILES | CC1=C(C=CC(=C1)N2CCOCC2)N |
| Synonym | 2-methyl-4-morpholin-4-yl aniline,2-methyl-4-morpholinoaniline,2-methyl-4-4-morpholinyl aniline,4-p-amino-m-tolyl morpholine,4-4-morpholinyl-2-methylaniline,2-methyl4-4-morpholinyl benzenamine,n-4-amino-3-methylphenyl morpholine,2-methyl-4-4-morpholinyl benzenamine,2-methyl-4-morpholin-4-yl-phenylamine,benzenamine, 2-methyl-4-4-morpholinyl |
| IUPAC Name | 2-methyl-4-morpholin-4-ylaniline |
| InChI Key | ZGJUJDQANIYVAL-UHFFFAOYSA-N |
| Molecular Formula | C11H16N2O |
3-Pyrrolidin-1-ylaniline, 97%, Thermo Scientific™
CAS: 115833-93-7 Molecular Formula: C10H14N2 Molecular Weight (g/mol): 162.236 InChI Key: DNPBFTQZONVQDX-UHFFFAOYSA-N PubChem CID: 1518808 IUPAC Name: 3-pyrrolidin-1-ylaniline SMILES: C1CCN(C1)C2=CC(=CC=C2)N
| PubChem CID | 1518808 |
|---|---|
| CAS | 115833-93-7 |
| Molecular Weight (g/mol) | 162.236 |
| SMILES | C1CCN(C1)C2=CC(=CC=C2)N |
| IUPAC Name | 3-pyrrolidin-1-ylaniline |
| InChI Key | DNPBFTQZONVQDX-UHFFFAOYSA-N |
| Molecular Formula | C10H14N2 |
3,4-Dimethyl-1H-pyrazole, 97%
CAS: 2820-37-3 Molecular Formula: C5H8N2 Molecular Weight (g/mol): 96.133 MDL Number: MFCD00462154 InChI Key: VQTVFIMEENGCJA-UHFFFAOYSA-N Synonym: 3,4-dimethyl-1h-pyrazole,3 5 ,4-dimethylpyrazole,3,4-dimethylpyrazole,3,4-dimethyl pyrazole,1h-pyrazole, 3,4-dimethyl,unii-7lf1k5quj0,7lf1k5quj0,1h-pyrazole,4,5-dimethyl,1h-pyrazole, 4,5-dimethyl,pyrazole, 3,4-dimethyl PubChem CID: 137735 IUPAC Name: 4,5-dimethyl-1H-pyrazole SMILES: CC1=C(NN=C1)C
| PubChem CID | 137735 |
|---|---|
| CAS | 2820-37-3 |
| Molecular Weight (g/mol) | 96.133 |
| MDL Number | MFCD00462154 |
| SMILES | CC1=C(NN=C1)C |
| Synonym | 3,4-dimethyl-1h-pyrazole,3 5 ,4-dimethylpyrazole,3,4-dimethylpyrazole,3,4-dimethyl pyrazole,1h-pyrazole, 3,4-dimethyl,unii-7lf1k5quj0,7lf1k5quj0,1h-pyrazole,4,5-dimethyl,1h-pyrazole, 4,5-dimethyl,pyrazole, 3,4-dimethyl |
| IUPAC Name | 4,5-dimethyl-1H-pyrazole |
| InChI Key | VQTVFIMEENGCJA-UHFFFAOYSA-N |
| Molecular Formula | C5H8N2 |
3-Cyanopyridine 1-oxide, 97%
CAS: 14906-64-0 Molecular Formula: C6H5N2O Molecular Weight (g/mol): 121.12 MDL Number: MFCD00129037 InChI Key: AABSWFBNBQBPEQ-UHFFFAOYNA-N Synonym: nicotinonitrile-1-oxide,3-cyanopyridine n-oxide,3-cyanopyridine-n-oxide,nicotinonitrile 1-oxide,3-cyanopyridine 1-oxide,3-cyanopyridin-1-ium-1-olate,3-pyridinecarbonitrile, 1-oxide,acmc-1c6hr,3-pyridinecarbonitrile,1-oxide,woovsqcalyyudo-uhfffaoysa PubChem CID: 84686 SMILES: [O-][NH++]1C=C[CH-]C(=C1)C#N
| PubChem CID | 84686 |
|---|---|
| CAS | 14906-64-0 |
| Molecular Weight (g/mol) | 121.12 |
| MDL Number | MFCD00129037 |
| SMILES | [O-][NH++]1C=C[CH-]C(=C1)C#N |
| Synonym | nicotinonitrile-1-oxide,3-cyanopyridine n-oxide,3-cyanopyridine-n-oxide,nicotinonitrile 1-oxide,3-cyanopyridine 1-oxide,3-cyanopyridin-1-ium-1-olate,3-pyridinecarbonitrile, 1-oxide,acmc-1c6hr,3-pyridinecarbonitrile,1-oxide,woovsqcalyyudo-uhfffaoysa |
| InChI Key | AABSWFBNBQBPEQ-UHFFFAOYNA-N |
| Molecular Formula | C6H5N2O |
Clozapine, 97%
CAS: 5786-21-0 Molecular Formula: C18H19ClN4 Molecular Weight (g/mol): 326.828 MDL Number: MFCD00153785 InChI Key: ZUXABONWMNSFBN-UHFFFAOYSA-N Synonym: clozapine,leponex,clozapin,clozaril,fazaclo,clorazil,iprox,clozapinum,asaleptin,clozapina PubChem CID: 2818 IUPAC Name: 3-chloro-6-(4-methylpiperazin-1-yl)-5H-benzo[b][1,4]benzodiazepine SMILES: CN1CCN(CC1)C2=C3C=CC=CC3=NC4=C(N2)C=C(C=C4)Cl
| PubChem CID | 2818 |
|---|---|
| CAS | 5786-21-0 |
| Molecular Weight (g/mol) | 326.828 |
| MDL Number | MFCD00153785 |
| SMILES | CN1CCN(CC1)C2=C3C=CC=CC3=NC4=C(N2)C=C(C=C4)Cl |
| Synonym | clozapine,leponex,clozapin,clozaril,fazaclo,clorazil,iprox,clozapinum,asaleptin,clozapina |
| IUPAC Name | 3-chloro-6-(4-methylpiperazin-1-yl)-5H-benzo[b][1,4]benzodiazepine |
| InChI Key | ZUXABONWMNSFBN-UHFFFAOYSA-N |
| Molecular Formula | C18H19ClN4 |
2,4,6-Collidine, 99%
CAS: 108-75-8 Molecular Formula: C8H11N Molecular Weight (g/mol): 121.18 MDL Number: MFCD00006338 InChI Key: BWZVCCNYKMEVEX-UHFFFAOYSA-N Synonym: 2,4,6-collidine,gamma-collidine,s-collidine,pyridine, 2,4,6-trimethyl,collidine,sym-collidine,2,4,6-kollidin,unii-7ie4bk5j5v,2,4,6-trimethyl-pyridine,.gamma.-collidine PubChem CID: 7953 IUPAC Name: 2,4,6-trimethylpyridine SMILES: CC1=CC(C)=NC(C)=C1
| PubChem CID | 7953 |
|---|---|
| CAS | 108-75-8 |
| Molecular Weight (g/mol) | 121.18 |
| MDL Number | MFCD00006338 |
| SMILES | CC1=CC(C)=NC(C)=C1 |
| Synonym | 2,4,6-collidine,gamma-collidine,s-collidine,pyridine, 2,4,6-trimethyl,collidine,sym-collidine,2,4,6-kollidin,unii-7ie4bk5j5v,2,4,6-trimethyl-pyridine,.gamma.-collidine |
| IUPAC Name | 2,4,6-trimethylpyridine |
| InChI Key | BWZVCCNYKMEVEX-UHFFFAOYSA-N |
| Molecular Formula | C8H11N |
2-chloropyrimidine-5-carboxylic acid, 97%
CAS: 374068-01-6 Molecular Formula: C5H3ClN2O2 Molecular Weight (g/mol): 158.54 MDL Number: MFCD06739036 InChI Key: DUCXUPKLVVSJKA-UHFFFAOYSA-N Synonym: 2-chloro-pyrimidine-5-carboxylic acid,2-chloro-5-carboxypyrimidine,5-carboxy-2-chloropyrimidine,5-pyrimidinecarboxylicacid, 2-chloro,2-chloro-5-pyrimidinecarboxylic acid,5-pyrimidinecarboxylic acid, 2-chloro,2-chloropyrimidine-5-carboxylicacid,acmc-1aig3,2-chloropyrimidine 5-carboxylic acid,2-chloro-5-pyrimidine carboxylic acid PubChem CID: 11094906 IUPAC Name: 2-chloropyrimidine-5-carboxylic acid SMILES: OC(=O)C1=CN=C(Cl)N=C1
| PubChem CID | 11094906 |
|---|---|
| CAS | 374068-01-6 |
| Molecular Weight (g/mol) | 158.54 |
| MDL Number | MFCD06739036 |
| SMILES | OC(=O)C1=CN=C(Cl)N=C1 |
| Synonym | 2-chloro-pyrimidine-5-carboxylic acid,2-chloro-5-carboxypyrimidine,5-carboxy-2-chloropyrimidine,5-pyrimidinecarboxylicacid, 2-chloro,2-chloro-5-pyrimidinecarboxylic acid,5-pyrimidinecarboxylic acid, 2-chloro,2-chloropyrimidine-5-carboxylicacid,acmc-1aig3,2-chloropyrimidine 5-carboxylic acid,2-chloro-5-pyrimidine carboxylic acid |
| IUPAC Name | 2-chloropyrimidine-5-carboxylic acid |
| InChI Key | DUCXUPKLVVSJKA-UHFFFAOYSA-N |
| Molecular Formula | C5H3ClN2O2 |
2-Phenylthiazole-4-carboxylic acid, 97%
CAS: 7113-10-2 Molecular Formula: C10H6NO2S Molecular Weight (g/mol): 204.22 MDL Number: MFCD00141954 InChI Key: IBUSLNJQKLZPNR-UHFFFAOYSA-M Synonym: 2-phenylthiazole-4-carboxylic acid,2-phenyl-4-carboxythiazole,4-thiazolecarboxylic acid, 2-phenyl,2-phenyl-thiazole-4-carboxylic acid,2-phenyl-4-thiazolecarboxylic acid,2-phenyl-1,3-thiadiazole-4-carboxylic acid,pubchem19074,4-carboxy-2-phenylthiazole,ksc237i8r,phenyl-1,3-thiazole-4-carboxylic acid PubChem CID: 138928 IUPAC Name: 2-phenyl-1,3-thiazole-4-carboxylic acid SMILES: C1=CC=C(C=C1)C2=NC(=CS2)C(=O)O
| PubChem CID | 138928 |
|---|---|
| CAS | 7113-10-2 |
| Molecular Weight (g/mol) | 204.22 |
| MDL Number | MFCD00141954 |
| SMILES | C1=CC=C(C=C1)C2=NC(=CS2)C(=O)O |
| Synonym | 2-phenylthiazole-4-carboxylic acid,2-phenyl-4-carboxythiazole,4-thiazolecarboxylic acid, 2-phenyl,2-phenyl-thiazole-4-carboxylic acid,2-phenyl-4-thiazolecarboxylic acid,2-phenyl-1,3-thiadiazole-4-carboxylic acid,pubchem19074,4-carboxy-2-phenylthiazole,ksc237i8r,phenyl-1,3-thiazole-4-carboxylic acid |
| IUPAC Name | 2-phenyl-1,3-thiazole-4-carboxylic acid |
| InChI Key | IBUSLNJQKLZPNR-UHFFFAOYSA-M |
| Molecular Formula | C10H6NO2S |
4-[5-(Trifluoromethyl)pyridin-2-yl]benzaldehyde, 90%, Thermo Scientific™
CAS: 871252-64-1 Molecular Formula: C13H8F3NO Molecular Weight (g/mol): 251.208 MDL Number: MFCD06797372 InChI Key: SBXWMOPSHGIWEN-UHFFFAOYSA-N Synonym: 4-5-trifluoromethyl pyridin-2-yl benzaldehyde,4-5-trifluoromethyl-2-pyridinyl benzenecarbaldehyde,4-5-trifluoromethyl-2-pyridinyl-benzenecarbaldehyde,4-5-trifluoromethyl-2-pyridyl benzaldehyde,4-5-trifluoromethyl-pyridin-2-yl-benzaldehyde,benzaldehyde,4-5-trifluoromethyl-2-pyridinyl,4-5-trifluoromethyl pyridin-2-yl benzenecarbaldehyde PubChem CID: 2763359 IUPAC Name: 4-[5-(trifluoromethyl)pyridin-2-yl]benzaldehyde SMILES: C1=CC(=CC=C1C=O)C2=NC=C(C=C2)C(F)(F)F
| PubChem CID | 2763359 |
|---|---|
| CAS | 871252-64-1 |
| Molecular Weight (g/mol) | 251.208 |
| MDL Number | MFCD06797372 |
| SMILES | C1=CC(=CC=C1C=O)C2=NC=C(C=C2)C(F)(F)F |
| Synonym | 4-5-trifluoromethyl pyridin-2-yl benzaldehyde,4-5-trifluoromethyl-2-pyridinyl benzenecarbaldehyde,4-5-trifluoromethyl-2-pyridinyl-benzenecarbaldehyde,4-5-trifluoromethyl-2-pyridyl benzaldehyde,4-5-trifluoromethyl-pyridin-2-yl-benzaldehyde,benzaldehyde,4-5-trifluoromethyl-2-pyridinyl,4-5-trifluoromethyl pyridin-2-yl benzenecarbaldehyde |
| IUPAC Name | 4-[5-(trifluoromethyl)pyridin-2-yl]benzaldehyde |
| InChI Key | SBXWMOPSHGIWEN-UHFFFAOYSA-N |
| Molecular Formula | C13H8F3NO |
Ketotifen Hydrogen Fumarate, EP, 98.5-101%, Spectrum™ Chemical
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CAS: 34580-14-8 Molecular Formula: C23H23NO5S Molecular Weight (g/mol): 425.50 InChI Key: YNQQEYBLVYAWNX-WLHGVMLRSA-N IUPAC Name: (2E)-but-2-enedioic acid; 2-(1-methylpiperidin-4-ylidene)-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-8-one SMILES: OC(=O)\C=C\C(O)=O.CN1CCC(CC1)=C1C2=C(SC=C2)C(=O)CC2=CC=CC=C12
| CAS | 34580-14-8 |
|---|---|
| Molecular Weight (g/mol) | 425.50 |
| SMILES | OC(=O)\C=C\C(O)=O.CN1CCC(CC1)=C1C2=C(SC=C2)C(=O)CC2=CC=CC=C12 |
| IUPAC Name | (2E)-but-2-enedioic acid; 2-(1-methylpiperidin-4-ylidene)-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-8-one |
| InChI Key | YNQQEYBLVYAWNX-WLHGVMLRSA-N |
| Molecular Formula | C23H23NO5S |
4-Bromo-2-fluoropyridine, 95%, Thermo Scientific Chemicals
CAS: 128071-98-7 Molecular Formula: C5H3BrFN Molecular Weight (g/mol): 175.988 MDL Number: MFCD04112504 InChI Key: PTPTZLXZHPPVKG-UHFFFAOYSA-N Synonym: 2-fluoro-4-bromopyridine,4-bromo-2-fluoro-pyridine,pyridine, 4-bromo-2-fluoro,abbypharma ap-17-5099,pubchem1228,acmc-209bdf,pyff21,4-bromo-2-fluoro pyridine,ksc493i4r,4-bromanyl-2-fluoranyl-pyridine PubChem CID: 2762851 IUPAC Name: 4-bromo-2-fluoropyridine SMILES: C1=CN=C(C=C1Br)F
| PubChem CID | 2762851 |
|---|---|
| CAS | 128071-98-7 |
| Molecular Weight (g/mol) | 175.988 |
| MDL Number | MFCD04112504 |
| SMILES | C1=CN=C(C=C1Br)F |
| Synonym | 2-fluoro-4-bromopyridine,4-bromo-2-fluoro-pyridine,pyridine, 4-bromo-2-fluoro,abbypharma ap-17-5099,pubchem1228,acmc-209bdf,pyff21,4-bromo-2-fluoro pyridine,ksc493i4r,4-bromanyl-2-fluoranyl-pyridine |
| IUPAC Name | 4-bromo-2-fluoropyridine |
| InChI Key | PTPTZLXZHPPVKG-UHFFFAOYSA-N |
| Molecular Formula | C5H3BrFN |
6-Chloronicotinic acid, 99%
CAS: 5326-23-8 Molecular Formula: C6H4ClNO2 Molecular Weight (g/mol): 157.553 MDL Number: MFCD00006241 InChI Key: UAWMVMPAYRWUFX-UHFFFAOYSA-N Synonym: 6-chloronicotinic acid,6-chloro-3-pyridinecarboxylic acid,3-pyridinecarboxylic acid, 6-chloro,6-chloro-nicotinic acid,6-chloro nicotinic acid,2-chloro-5-pyridinecarboxylic acid,2-chloropyridine-5-carboxylic acid,6-chlornicotins,6chloronichotinicacid,2-chloroncotinic acid PubChem CID: 79222 IUPAC Name: 6-chloropyridine-3-carboxylic acid SMILES: C1=CC(=NC=C1C(=O)O)Cl
| PubChem CID | 79222 |
|---|---|
| CAS | 5326-23-8 |
| Molecular Weight (g/mol) | 157.553 |
| MDL Number | MFCD00006241 |
| SMILES | C1=CC(=NC=C1C(=O)O)Cl |
| Synonym | 6-chloronicotinic acid,6-chloro-3-pyridinecarboxylic acid,3-pyridinecarboxylic acid, 6-chloro,6-chloro-nicotinic acid,6-chloro nicotinic acid,2-chloro-5-pyridinecarboxylic acid,2-chloropyridine-5-carboxylic acid,6-chlornicotins,6chloronichotinicacid,2-chloroncotinic acid |
| IUPAC Name | 6-chloropyridine-3-carboxylic acid |
| InChI Key | UAWMVMPAYRWUFX-UHFFFAOYSA-N |
| Molecular Formula | C6H4ClNO2 |
N-(2-Hydroxyethyl)pyrrolidine, 97%
CAS: 2955-88-6 Molecular Formula: C6H13NO Molecular Weight (g/mol): 115.18 MDL Number: MFCD00003181 InChI Key: XBRDBODLCHKXHI-UHFFFAOYSA-N Synonym: 1-pyrrolidineethanol,n-2-hydroxyethyl pyrrolidine,1-2-hydroxyethyl pyrrolidine,2-pyrrolidin-1-yl ethanol,epolamine,2-pyrrolidinoethanol,pyrrolidinoethanol,hydroxyethylpyrrolidine,2-1-pyrrolidinyl ethanol,2-pyrrolidin-1-yl ethan-1-ol PubChem CID: 76288 ChEBI: CHEBI:48293 IUPAC Name: 2-pyrrolidin-1-ylethanol SMILES: OCCN1CCCC1
| PubChem CID | 76288 |
|---|---|
| CAS | 2955-88-6 |
| Molecular Weight (g/mol) | 115.18 |
| ChEBI | CHEBI:48293 |
| MDL Number | MFCD00003181 |
| SMILES | OCCN1CCCC1 |
| Synonym | 1-pyrrolidineethanol,n-2-hydroxyethyl pyrrolidine,1-2-hydroxyethyl pyrrolidine,2-pyrrolidin-1-yl ethanol,epolamine,2-pyrrolidinoethanol,pyrrolidinoethanol,hydroxyethylpyrrolidine,2-1-pyrrolidinyl ethanol,2-pyrrolidin-1-yl ethan-1-ol |
| IUPAC Name | 2-pyrrolidin-1-ylethanol |
| InChI Key | XBRDBODLCHKXHI-UHFFFAOYSA-N |
| Molecular Formula | C6H13NO |
2,3-Dimethylmaleic anhydride, 97%
CAS: 766-39-2 Molecular Formula: C6H6O3 Molecular Weight (g/mol): 126.11 MDL Number: MFCD00005523 InChI Key: MFGALGYVFGDXIX-UHFFFAOYSA-N Synonym: 2,3-dimethylmaleic anhydride,dimethylmaleic anhydride,2,5-furandione, 3,4-dimethyl,pyrocinchonic anhydride,maleic anhydride, dimethyl,dimethylmaleic acid anhydride,2,3-dimethylmaleicanhydride,unii-6pp3n541qa,3,4-dimethyl-furan-2,5-dione,alpha,beta-dimethylmaleic anhydride PubChem CID: 13010 IUPAC Name: 3,4-dimethylfuran-2,5-dione SMILES: CC1=C(C(=O)OC1=O)C
| PubChem CID | 13010 |
|---|---|
| CAS | 766-39-2 |
| Molecular Weight (g/mol) | 126.11 |
| MDL Number | MFCD00005523 |
| SMILES | CC1=C(C(=O)OC1=O)C |
| Synonym | 2,3-dimethylmaleic anhydride,dimethylmaleic anhydride,2,5-furandione, 3,4-dimethyl,pyrocinchonic anhydride,maleic anhydride, dimethyl,dimethylmaleic acid anhydride,2,3-dimethylmaleicanhydride,unii-6pp3n541qa,3,4-dimethyl-furan-2,5-dione,alpha,beta-dimethylmaleic anhydride |
| IUPAC Name | 3,4-dimethylfuran-2,5-dione |
| InChI Key | MFGALGYVFGDXIX-UHFFFAOYSA-N |
| Molecular Formula | C6H6O3 |