Organoheterocyclic compounds
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Polyvinylpyrrolidone K-90, Spectrum™ Chemical
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CAS: 9003-39-8
| CAS | 9003-39-8 |
|---|
Theophylline, Anhydrous, USP, 97-102%, Spectrum™ Chemical
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CAS: 58-55-9 Molecular Formula: C7H8N4O2 Molecular Weight (g/mol): 180.17 InChI Key: ZFXYFBGIUFBOJW-UHFFFAOYSA-N IUPAC Name: 1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione SMILES: CN1C2=C(NC=N2)C(=O)N(C)C1=O
| CAS | 58-55-9 |
|---|---|
| Molecular Weight (g/mol) | 180.17 |
| SMILES | CN1C2=C(NC=N2)C(=O)N(C)C1=O |
| IUPAC Name | 1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione |
| InChI Key | ZFXYFBGIUFBOJW-UHFFFAOYSA-N |
| Molecular Formula | C7H8N4O2 |
5-Amino-2-fluoropyridine, 97+%, Thermo Scientific Chemicals
CAS: 1827-27-6 Molecular Formula: C5H5FN2 Molecular Weight (g/mol): 112.11 MDL Number: MFCD01632180 InChI Key: YTHMOBMZVVFNBE-UHFFFAOYSA-N Synonym: 5-amino-2-fluoropyridine,2-fluoro-5-aminopyridine,3-amino-6-fluoropyridine,6-fluoro-pyridin-3-ylamine,6-fluoro-3-pyridinamine,3-pyridinamine, 6-fluoro,6-fluoro-3-pyridylamine,6-fluoro-3-pyridineamine,5-amine-2-fluoropyridine,6-fluoropyridine-3-amine PubChem CID: 819440 IUPAC Name: 6-fluoropyridin-3-amine SMILES: NC1=CN=C(F)C=C1
| PubChem CID | 819440 |
|---|---|
| CAS | 1827-27-6 |
| Molecular Weight (g/mol) | 112.11 |
| MDL Number | MFCD01632180 |
| SMILES | NC1=CN=C(F)C=C1 |
| Synonym | 5-amino-2-fluoropyridine,2-fluoro-5-aminopyridine,3-amino-6-fluoropyridine,6-fluoro-pyridin-3-ylamine,6-fluoro-3-pyridinamine,3-pyridinamine, 6-fluoro,6-fluoro-3-pyridylamine,6-fluoro-3-pyridineamine,5-amine-2-fluoropyridine,6-fluoropyridine-3-amine |
| IUPAC Name | 6-fluoropyridin-3-amine |
| InChI Key | YTHMOBMZVVFNBE-UHFFFAOYSA-N |
| Molecular Formula | C5H5FN2 |
1-Boc-3-pyrrolidinone, 97%
CAS: 101385-93-7 Molecular Formula: C9H15NO3 Molecular Weight (g/mol): 185.223 MDL Number: MFCD01631194 InChI Key: JSOMVCDXPUXKIC-UHFFFAOYSA-N Synonym: n-boc-3-pyrrolidinone,1-boc-3-pyrrolidinone,1-n-boc-3-pyrrolidinone,n-tert-butoxycarbonyl-3-pyrrolidinone,n-boc-pyrrolidine-3-one,boc-3-pyrrolidinone,1-boc-3-pyrrolidone,3-oxo-pyrrolidine-1-carboxylic acid tert-butyl ester,tert-butyl 3-oxopyrrolidinecarboxylate,1-tert-butoxycarbonyl-3-pyrrolidone PubChem CID: 471360 IUPAC Name: tert-butyl 3-oxopyrrolidine-1-carboxylate SMILES: CC(C)(C)OC(=O)N1CCC(=O)C1
| PubChem CID | 471360 |
|---|---|
| CAS | 101385-93-7 |
| Molecular Weight (g/mol) | 185.223 |
| MDL Number | MFCD01631194 |
| SMILES | CC(C)(C)OC(=O)N1CCC(=O)C1 |
| Synonym | n-boc-3-pyrrolidinone,1-boc-3-pyrrolidinone,1-n-boc-3-pyrrolidinone,n-tert-butoxycarbonyl-3-pyrrolidinone,n-boc-pyrrolidine-3-one,boc-3-pyrrolidinone,1-boc-3-pyrrolidone,3-oxo-pyrrolidine-1-carboxylic acid tert-butyl ester,tert-butyl 3-oxopyrrolidinecarboxylate,1-tert-butoxycarbonyl-3-pyrrolidone |
| IUPAC Name | tert-butyl 3-oxopyrrolidine-1-carboxylate |
| InChI Key | JSOMVCDXPUXKIC-UHFFFAOYSA-N |
| Molecular Formula | C9H15NO3 |
2-Bromo-3-chloro-5-(trifluoromethyl)pyridine, 97%, Thermo Scientific™
CAS: 75806-84-7 Molecular Formula: C6H2BrClF3N Molecular Weight (g/mol): 260.438 MDL Number: MFCD00153072 InChI Key: SMTKGMYGLYWNDL-UHFFFAOYSA-N Synonym: 2-bromo-3-chloro-5-trifluoromethyl pyridine,librarion l938,abbypharma ap-13-5059,pyridine, 2-bromo-3-chloro-5-trifluoromethyl,pubchem3000,acmc-1bicf,ksc498c5d,buttpark 153\33-66,2-bromo-3-chloro-5 trifluoromethyl pyridine PubChem CID: 2736237 IUPAC Name: 2-bromo-3-chloro-5-(trifluoromethyl)pyridine SMILES: C1=C(C=NC(=C1Cl)Br)C(F)(F)F
| PubChem CID | 2736237 |
|---|---|
| CAS | 75806-84-7 |
| Molecular Weight (g/mol) | 260.438 |
| MDL Number | MFCD00153072 |
| SMILES | C1=C(C=NC(=C1Cl)Br)C(F)(F)F |
| Synonym | 2-bromo-3-chloro-5-trifluoromethyl pyridine,librarion l938,abbypharma ap-13-5059,pyridine, 2-bromo-3-chloro-5-trifluoromethyl,pubchem3000,acmc-1bicf,ksc498c5d,buttpark 153\33-66,2-bromo-3-chloro-5 trifluoromethyl pyridine |
| IUPAC Name | 2-bromo-3-chloro-5-(trifluoromethyl)pyridine |
| InChI Key | SMTKGMYGLYWNDL-UHFFFAOYSA-N |
| Molecular Formula | C6H2BrClF3N |
2-n-Pentylfuran, 98%
CAS: 3777-69-3 Molecular Formula: C9H14O Molecular Weight (g/mol): 138.21 MDL Number: MFCD00036497 InChI Key: YVBAUDVGOFCUSG-UHFFFAOYSA-N Synonym: furan, 2-pentyl,2-n-pentylfuran,2-amylfuran,furan, pentyl,pentylfuran,natural,unii-6i0qaj1jzq,2-pentyl furan,fema no. 3317,6i0qaj1jzq PubChem CID: 19602 IUPAC Name: 2-pentylfuran SMILES: CCCCCC1=CC=CO1
| PubChem CID | 19602 |
|---|---|
| CAS | 3777-69-3 |
| Molecular Weight (g/mol) | 138.21 |
| MDL Number | MFCD00036497 |
| SMILES | CCCCCC1=CC=CO1 |
| Synonym | furan, 2-pentyl,2-n-pentylfuran,2-amylfuran,furan, pentyl,pentylfuran,natural,unii-6i0qaj1jzq,2-pentyl furan,fema no. 3317,6i0qaj1jzq |
| IUPAC Name | 2-pentylfuran |
| InChI Key | YVBAUDVGOFCUSG-UHFFFAOYSA-N |
| Molecular Formula | C9H14O |
5-Methoxyindole-3-acetic acid, 98+%
CAS: 3471-31-6 Molecular Formula: C11H11NO3 Molecular Weight (g/mol): 205.213 MDL Number: MFCD00005638 InChI Key: COCNDHOPIHDTHK-UHFFFAOYSA-N Synonym: 5-methoxyindole-3-acetic acid,2-5-methoxy-1h-indol-3-yl acetic acid,5-methoxyindoleacetic acid,methoxyindoleacetic acid,5-methoxy-3-indoleacetic acid,5-methoxyindol-3-ylacetic acid,5-methoxy-1h-indol-3-yl acetic acid,5-methoxyindole-3-aceticacid,5-methoxyindoleacetate,1h-indole-3-acetic acid, 5-methoxy PubChem CID: 18986 ChEBI: CHEBI:28281 IUPAC Name: 2-(5-methoxy-1H-indol-3-yl)acetic acid SMILES: COC1=CC2=C(C=C1)NC=C2CC(=O)O
| PubChem CID | 18986 |
|---|---|
| CAS | 3471-31-6 |
| Molecular Weight (g/mol) | 205.213 |
| ChEBI | CHEBI:28281 |
| MDL Number | MFCD00005638 |
| SMILES | COC1=CC2=C(C=C1)NC=C2CC(=O)O |
| Synonym | 5-methoxyindole-3-acetic acid,2-5-methoxy-1h-indol-3-yl acetic acid,5-methoxyindoleacetic acid,methoxyindoleacetic acid,5-methoxy-3-indoleacetic acid,5-methoxyindol-3-ylacetic acid,5-methoxy-1h-indol-3-yl acetic acid,5-methoxyindole-3-aceticacid,5-methoxyindoleacetate,1h-indole-3-acetic acid, 5-methoxy |
| IUPAC Name | 2-(5-methoxy-1H-indol-3-yl)acetic acid |
| InChI Key | COCNDHOPIHDTHK-UHFFFAOYSA-N |
| Molecular Formula | C11H11NO3 |
4-Phenylazodiphenylamine, 96%
CAS: 101-75-7 Molecular Formula: C18H15N3 Molecular Weight (g/mol): 273.34 MDL Number: MFCD00003023 InChI Key: VXLFYNFOITWQPM-UHFFFAOYSA-N Synonym: 4-anilinoazobenzene,4-phenylazo diphenylamine,4-phenylazodiphenylamine,4-benzeneazodiphenylamine,benzenamine, n-phenyl-4-phenylazo,azobenzene, 4-anilino,n-phenyl-4-aminoazobenzene,4-phenylamino azobenzene,diphenylamine, 4-phenylazo,n-phenyl-4-phenylazo aniline PubChem CID: 7575 IUPAC Name: N-phenyl-4-phenyldiazenylaniline SMILES: N(C1=CC=CC=C1)C1=CC=C(C=C1)N=NC1=CC=CC=C1
| PubChem CID | 7575 |
|---|---|
| CAS | 101-75-7 |
| Molecular Weight (g/mol) | 273.34 |
| MDL Number | MFCD00003023 |
| SMILES | N(C1=CC=CC=C1)C1=CC=C(C=C1)N=NC1=CC=CC=C1 |
| Synonym | 4-anilinoazobenzene,4-phenylazo diphenylamine,4-phenylazodiphenylamine,4-benzeneazodiphenylamine,benzenamine, n-phenyl-4-phenylazo,azobenzene, 4-anilino,n-phenyl-4-aminoazobenzene,4-phenylamino azobenzene,diphenylamine, 4-phenylazo,n-phenyl-4-phenylazo aniline |
| IUPAC Name | N-phenyl-4-phenyldiazenylaniline |
| InChI Key | VXLFYNFOITWQPM-UHFFFAOYSA-N |
| Molecular Formula | C18H15N3 |
1-Butyl-3-methylimidazolium chloride, 98+%
CAS: 79917-90-1 Molecular Formula: C8H15ClN2 Molecular Weight (g/mol): 174.67 MDL Number: MFCD03095425 InChI Key: FHDQNOXQSTVAIC-UHFFFAOYSA-M Synonym: 1-butyl-3-methylimidazolium chloride,3-butyl-1-methyl-1h-imidazol-3-ium chloride,1-n-butyl-3-methylimidazolium chloride,bmimcl,bmim cl,c4mim chloride,dsstox_cid_11461,dsstox_rid_78878,dsstox_gsid_31461 PubChem CID: 2734161 IUPAC Name: 1-butyl-3-methylimidazol-3-ium;chloride SMILES: [Cl-].CCCCN1C=C[N+](C)=C1
| PubChem CID | 2734161 |
|---|---|
| CAS | 79917-90-1 |
| Molecular Weight (g/mol) | 174.67 |
| MDL Number | MFCD03095425 |
| SMILES | [Cl-].CCCCN1C=C[N+](C)=C1 |
| Synonym | 1-butyl-3-methylimidazolium chloride,3-butyl-1-methyl-1h-imidazol-3-ium chloride,1-n-butyl-3-methylimidazolium chloride,bmimcl,bmim cl,c4mim chloride,dsstox_cid_11461,dsstox_rid_78878,dsstox_gsid_31461 |
| IUPAC Name | 1-butyl-3-methylimidazol-3-ium;chloride |
| InChI Key | FHDQNOXQSTVAIC-UHFFFAOYSA-M |
| Molecular Formula | C8H15ClN2 |
2-Mercaptobenzothiazole, Spectrum™ Chemical
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CAS: 149-30-4
| CAS | 149-30-4 |
|---|
3-Oxetanyl p-toluenesulfonate, 96%, Thermo Scientific Chemicals
CAS: 26272-83-3 Molecular Formula: C10H12O4S Molecular Weight (g/mol): 228.262 MDL Number: MFCD08544401 InChI Key: UMFWNFVHKAJOSE-UHFFFAOYSA-N Synonym: 3-oxetanyl tosylate,toluene-4-sulfonic acid oxetan-3-yl ester,oxetan-3-yl 4-methylbenzene-1-sulfonate,3-tosyloxy oxetane,3-tosyloxyoxetane,3-oxetanyl p-toluenesulfonate,oxetan-3-yl-4-methylbenzenesulfonate,p-toluenesulfonic acid 3-oxetanyl ester,acmc-1cgaz,3-oxetanol, 3-4-methylbenzenesulfonate PubChem CID: 13153907 IUPAC Name: oxetan-3-yl 4-methylbenzenesulfonate SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC2COC2
| PubChem CID | 13153907 |
|---|---|
| CAS | 26272-83-3 |
| Molecular Weight (g/mol) | 228.262 |
| MDL Number | MFCD08544401 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2COC2 |
| Synonym | 3-oxetanyl tosylate,toluene-4-sulfonic acid oxetan-3-yl ester,oxetan-3-yl 4-methylbenzene-1-sulfonate,3-tosyloxy oxetane,3-tosyloxyoxetane,3-oxetanyl p-toluenesulfonate,oxetan-3-yl-4-methylbenzenesulfonate,p-toluenesulfonic acid 3-oxetanyl ester,acmc-1cgaz,3-oxetanol, 3-4-methylbenzenesulfonate |
| IUPAC Name | oxetan-3-yl 4-methylbenzenesulfonate |
| InChI Key | UMFWNFVHKAJOSE-UHFFFAOYSA-N |
| Molecular Formula | C10H12O4S |
Methyl 2-thiomorpholin-4-ylisonicotinate, 97%, Thermo Scientific™
CAS: 898289-26-4 Molecular Formula: C11H14N2O2S Molecular Weight (g/mol): 238.31 MDL Number: MFCD09064957 InChI Key: PKBDUKGWOJJNRV-UHFFFAOYSA-N Synonym: methyl 2-thiomorpholin-4-ylisonicotinate,methyl 2-thiomorpholin-4-yl pyridine-4-carboxylate,methyl 2-1,4-thiazaperhydroin-4-yl pyridine-4-carboxylate,4-pyridinecarboxylicacid, 2-4-thiomorpholinyl-, methyl ester PubChem CID: 24229509 SMILES: COC(=O)C1=CC(=NC=C1)N1CCSCC1
| PubChem CID | 24229509 |
|---|---|
| CAS | 898289-26-4 |
| Molecular Weight (g/mol) | 238.31 |
| MDL Number | MFCD09064957 |
| SMILES | COC(=O)C1=CC(=NC=C1)N1CCSCC1 |
| Synonym | methyl 2-thiomorpholin-4-ylisonicotinate,methyl 2-thiomorpholin-4-yl pyridine-4-carboxylate,methyl 2-1,4-thiazaperhydroin-4-yl pyridine-4-carboxylate,4-pyridinecarboxylicacid, 2-4-thiomorpholinyl-, methyl ester |
| InChI Key | PKBDUKGWOJJNRV-UHFFFAOYSA-N |
| Molecular Formula | C11H14N2O2S |
Psoralen, 97%, Thermo Scientific Chemicals
CAS: 66-97-7 Molecular Formula: C11H6O3 Molecular Weight (g/mol): 186.17 MDL Number: MFCD00010520 InChI Key: ZCCUUQDIBDJBTK-UHFFFAOYSA-N Synonym: psoralen,ficusin,7h-furo 3,2-g chromen-7-one,furocoumarin,psoralene,7h-furo 3,2-g 1 benzopyran-7-one,psorline-p,6,7-furanocoumarin,furo 3,2-g chromen-7-one,furo 3,2-g coumarin PubChem CID: 6199 ChEBI: CHEBI:27616 IUPAC Name: 7H-furo[3,2-g]chromen-7-one SMILES: O=C1OC2=CC3=C(C=CO3)C=C2C=C1
| PubChem CID | 6199 |
|---|---|
| CAS | 66-97-7 |
| Molecular Weight (g/mol) | 186.17 |
| ChEBI | CHEBI:27616 |
| MDL Number | MFCD00010520 |
| SMILES | O=C1OC2=CC3=C(C=CO3)C=C2C=C1 |
| Synonym | psoralen,ficusin,7h-furo 3,2-g chromen-7-one,furocoumarin,psoralene,7h-furo 3,2-g 1 benzopyran-7-one,psorline-p,6,7-furanocoumarin,furo 3,2-g chromen-7-one,furo 3,2-g coumarin |
| IUPAC Name | 7H-furo[3,2-g]chromen-7-one |
| InChI Key | ZCCUUQDIBDJBTK-UHFFFAOYSA-N |
| Molecular Formula | C11H6O3 |
5-Chloro-1,3-benzodioxole, 98%
CAS: 7228-38-8 Molecular Formula: C7H5ClO2 Molecular Weight (g/mol): 156.565 MDL Number: MFCD00010842 InChI Key: ODQPZHOXLYATLC-UHFFFAOYSA-N PubChem CID: 138966 IUPAC Name: 5-chloro-1,3-benzodioxole SMILES: C1OC2=C(O1)C=C(C=C2)Cl
| PubChem CID | 138966 |
|---|---|
| CAS | 7228-38-8 |
| Molecular Weight (g/mol) | 156.565 |
| MDL Number | MFCD00010842 |
| SMILES | C1OC2=C(O1)C=C(C=C2)Cl |
| IUPAC Name | 5-chloro-1,3-benzodioxole |
| InChI Key | ODQPZHOXLYATLC-UHFFFAOYSA-N |
| Molecular Formula | C7H5ClO2 |
Omeprazole, USP, 98-102%, Spectrum™ Chemical
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CAS: 73590-58-6 Molecular Formula: C17H19N3O3S Molecular Weight (g/mol): 345.42 InChI Key: SUBDBMMJDZJVOS-UHFFFAOYNA-N IUPAC Name: 6-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methanesulfinyl]-1H-1,3-benzodiazole SMILES: COC1=CC=C2N=C(NC2=C1)S(=O)CC1=NC=C(C)C(OC)=C1C
| CAS | 73590-58-6 |
|---|---|
| Molecular Weight (g/mol) | 345.42 |
| SMILES | COC1=CC=C2N=C(NC2=C1)S(=O)CC1=NC=C(C)C(OC)=C1C |
| IUPAC Name | 6-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methanesulfinyl]-1H-1,3-benzodiazole |
| InChI Key | SUBDBMMJDZJVOS-UHFFFAOYNA-N |
| Molecular Formula | C17H19N3O3S |