Organoheterocyclic compounds
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2,6-Di-tert-butyl-4-methylpyrylium Trifluoromethanesulfonate 97.0+%, TCI America™
CAS: 59643-43-5 Molecular Formula: C15H23F3O4S Molecular Weight (g/mol): 356.4 MDL Number: MFCD00229854 InChI Key: OTVABNVGYCQZFO-UHFFFAOYSA-M Synonym: 2,6-di-tert-butyl-4-methylpyrylium trifluoromethanesulfonate,2,6-ditert-butyl-4-methylpyrylium; trifluoromethanesulfonate,2,6-di-tert-butyl-4-methyl-1??-pyran-1-ylium triflate,2,6-di-tert-butyl-4-methylpyrylium triflate,2,6-di-tert-butyl-4-methyl-1$l^ 4-pyran-1-ylium triflate,2,6-di-tert-butyl-4-methylpyrylium trifluoromethane sulfonate,2,6-di-tert-butyl-4-methylpyran-1-ium trifluoromethanesulfonate,2,6-ditert-butyl-4-methyl-pyrylium; tris fluoranyl methanesulfonate,2,6-di-tert-butyl-4-methyl-pyranylium, trifluoro-methanesulfonate PubChem CID: 2736809 IUPAC Name: 2,6-ditert-butyl-4-methylpyrylium;trifluoromethanesulfonate SMILES: CC1=CC(=[O+]C(=C1)C(C)(C)C)C(C)(C)C.C(F)(F)(F)S(=O)(=O)[O-]
| PubChem CID | 2736809 |
|---|---|
| CAS | 59643-43-5 |
| Molecular Weight (g/mol) | 356.4 |
| MDL Number | MFCD00229854 |
| SMILES | CC1=CC(=[O+]C(=C1)C(C)(C)C)C(C)(C)C.C(F)(F)(F)S(=O)(=O)[O-] |
| Synonym | 2,6-di-tert-butyl-4-methylpyrylium trifluoromethanesulfonate,2,6-ditert-butyl-4-methylpyrylium; trifluoromethanesulfonate,2,6-di-tert-butyl-4-methyl-1??-pyran-1-ylium triflate,2,6-di-tert-butyl-4-methylpyrylium triflate,2,6-di-tert-butyl-4-methyl-1$l^ 4-pyran-1-ylium triflate,2,6-di-tert-butyl-4-methylpyrylium trifluoromethane sulfonate,2,6-di-tert-butyl-4-methylpyran-1-ium trifluoromethanesulfonate,2,6-ditert-butyl-4-methyl-pyrylium; tris fluoranyl methanesulfonate,2,6-di-tert-butyl-4-methyl-pyranylium, trifluoro-methanesulfonate |
| IUPAC Name | 2,6-ditert-butyl-4-methylpyrylium;trifluoromethanesulfonate |
| InChI Key | OTVABNVGYCQZFO-UHFFFAOYSA-M |
| Molecular Formula | C15H23F3O4S |
3-Propylthiophene 97.0+%, TCI America™
CAS: 1518-75-8 Molecular Formula: C7H10S Molecular Weight (g/mol): 126.22 MDL Number: MFCD00143183 InChI Key: QZNFRMXKQCIPQY-UHFFFAOYSA-N PubChem CID: 519073 IUPAC Name: 3-propylthiophene SMILES: CCCC1=CSC=C1
| PubChem CID | 519073 |
|---|---|
| CAS | 1518-75-8 |
| Molecular Weight (g/mol) | 126.22 |
| MDL Number | MFCD00143183 |
| SMILES | CCCC1=CSC=C1 |
| IUPAC Name | 3-propylthiophene |
| InChI Key | QZNFRMXKQCIPQY-UHFFFAOYSA-N |
| Molecular Formula | C7H10S |
4-Methylthiazole 98.0+%, TCI America™
CAS: 693-95-8 Molecular Formula: C4H5NS Molecular Weight (g/mol): 99.15 MDL Number: MFCD00005340 InChI Key: QMHIMXFNBOYPND-UHFFFAOYSA-N Synonym: 4-methylthiazole,thiazole, 4-methyl,4-methyl thiazole,4-methyl-thiazole,fema no. 3716,4-methyl-5h-1,3-thiazole,4-methyithiazole,methylthiazole, 4,pubchem23683 PubChem CID: 12748 ChEBI: CHEBI:35626 IUPAC Name: 4-methyl-1,3-thiazole SMILES: CC1=CSC=N1
| PubChem CID | 12748 |
|---|---|
| CAS | 693-95-8 |
| Molecular Weight (g/mol) | 99.15 |
| ChEBI | CHEBI:35626 |
| MDL Number | MFCD00005340 |
| SMILES | CC1=CSC=N1 |
| Synonym | 4-methylthiazole,thiazole, 4-methyl,4-methyl thiazole,4-methyl-thiazole,fema no. 3716,4-methyl-5h-1,3-thiazole,4-methyithiazole,methylthiazole, 4,pubchem23683 |
| IUPAC Name | 4-methyl-1,3-thiazole |
| InChI Key | QMHIMXFNBOYPND-UHFFFAOYSA-N |
| Molecular Formula | C4H5NS |
2,3-Dimethylfuran 98.0+%, TCI America™
CAS: 14920-89-9 Molecular Formula: C6H8O Molecular Weight (g/mol): 96.13 MDL Number: MFCD00153893 InChI Key: FJSKXQVRKZTKSI-UHFFFAOYSA-N Synonym: furan, dimethyl,dimethylfuran,dimethyl furane,dimethyl furan,2,3-dimethyl-furan,furan, 2,3-dimethyl,4,5-dimethylfuran,2,3-dimethylfuran,acmc-1c70a PubChem CID: 34337 IUPAC Name: 2,3-dimethylfuran SMILES: CC1=C(C)C=CO1
| PubChem CID | 34337 |
|---|---|
| CAS | 14920-89-9 |
| Molecular Weight (g/mol) | 96.13 |
| MDL Number | MFCD00153893 |
| SMILES | CC1=C(C)C=CO1 |
| Synonym | furan, dimethyl,dimethylfuran,dimethyl furane,dimethyl furan,2,3-dimethyl-furan,furan, 2,3-dimethyl,4,5-dimethylfuran,2,3-dimethylfuran,acmc-1c70a |
| IUPAC Name | 2,3-dimethylfuran |
| InChI Key | FJSKXQVRKZTKSI-UHFFFAOYSA-N |
| Molecular Formula | C6H8O |
3,6-Di(2-pyridyl)-1,2,4,5-tetrazine 98.0+%, TCI America™
CAS: 1671-87-0 Molecular Formula: C12H8N6 Molecular Weight (g/mol): 236.24 MDL Number: MFCD00121717 InChI Key: JFBIRMIEJBPDTQ-UHFFFAOYSA-N Synonym: 3,6-di pyridin-2-yl-1,2,4,5-tetrazine,3,6-di 2-pyridyl-1,2,4,5-tetrazine,3,6-di-2-pyridyl-1,2,4,5-tetrazine,3,6-di-2-pyridinyl-1,2,4,5-tetrazine,3,6-bis 2-pyridyl-1,2,4,5-tetrazine,bis pyridin-2-yl-1,2,4,5-tetrazine,3,6-bis 2-pyridinyl-1,2,4,5-tetrazine,bptz,acmc-209dvt,3,6-di-2-pyridyl-s-tetrazine PubChem CID: 315109 IUPAC Name: bis(pyridin-2-yl)-1,2,4,5-tetrazine SMILES: C1=CC=C(N=C1)C1=NN=C(N=N1)C1=CC=CC=N1
| PubChem CID | 315109 |
|---|---|
| CAS | 1671-87-0 |
| Molecular Weight (g/mol) | 236.24 |
| MDL Number | MFCD00121717 |
| SMILES | C1=CC=C(N=C1)C1=NN=C(N=N1)C1=CC=CC=N1 |
| Synonym | 3,6-di pyridin-2-yl-1,2,4,5-tetrazine,3,6-di 2-pyridyl-1,2,4,5-tetrazine,3,6-di-2-pyridyl-1,2,4,5-tetrazine,3,6-di-2-pyridinyl-1,2,4,5-tetrazine,3,6-bis 2-pyridyl-1,2,4,5-tetrazine,bis pyridin-2-yl-1,2,4,5-tetrazine,3,6-bis 2-pyridinyl-1,2,4,5-tetrazine,bptz,acmc-209dvt,3,6-di-2-pyridyl-s-tetrazine |
| IUPAC Name | bis(pyridin-2-yl)-1,2,4,5-tetrazine |
| InChI Key | JFBIRMIEJBPDTQ-UHFFFAOYSA-N |
| Molecular Formula | C12H8N6 |
1-Aminopyrrole 98.0+%, TCI America™
CAS: 765-39-9 Molecular Formula: C4H6N2 Molecular Weight (g/mol): 82.106 MDL Number: MFCD00059931 InChI Key: YNZAFFFENDLJQG-UHFFFAOYSA-N PubChem CID: 136589 IUPAC Name: pyrrol-1-amine SMILES: C1=CN(C=C1)N
| PubChem CID | 136589 |
|---|---|
| CAS | 765-39-9 |
| Molecular Weight (g/mol) | 82.106 |
| MDL Number | MFCD00059931 |
| SMILES | C1=CN(C=C1)N |
| IUPAC Name | pyrrol-1-amine |
| InChI Key | YNZAFFFENDLJQG-UHFFFAOYSA-N |
| Molecular Formula | C4H6N2 |
2-(Trimethylsilylethynyl)thiophene 98.0+%, TCI America™
CAS: 40231-03-6 Molecular Formula: C9H12SSi Molecular Weight (g/mol): 180.34 MDL Number: MFCD03427125 InChI Key: OQUBLKNISPLGJP-UHFFFAOYSA-N Synonym: Trimethyl(thiophen-2-ylethynyl)silane PubChem CID: 596870 IUPAC Name: trimethyl[2-(thiophen-2-yl)ethynyl]silane SMILES: C[Si](C)(C)C#CC1=CC=CS1
| PubChem CID | 596870 |
|---|---|
| CAS | 40231-03-6 |
| Molecular Weight (g/mol) | 180.34 |
| MDL Number | MFCD03427125 |
| SMILES | C[Si](C)(C)C#CC1=CC=CS1 |
| Synonym | Trimethyl(thiophen-2-ylethynyl)silane |
| IUPAC Name | trimethyl[2-(thiophen-2-yl)ethynyl]silane |
| InChI Key | OQUBLKNISPLGJP-UHFFFAOYSA-N |
| Molecular Formula | C9H12SSi |
5-Methylbenzimidazole 98.0+%, TCI America™
CAS: 614-97-1 Molecular Formula: C8H8N2 Molecular Weight (g/mol): 132.166 MDL Number: MFCD00010740 InChI Key: RWXZXCZBMQPOBF-UHFFFAOYSA-N Synonym: 5-methylbenzimidazole,5-methyl-1h-benzo d imidazole,1h-benzimidazole, 5-methyl,5-methyl-1h-benzimidazole,benzimidazole, 5-methyl,ethyl 4-cyanophenylalaninate,1h-benzimidazole, 6-methyl,5-methyl-1h-1,3-benzodiazole,6-methyl-1h-1,3-benzodiazole,5mb PubChem CID: 11979 ChEBI: CHEBI:40205 IUPAC Name: 6-methyl-1H-benzimidazole SMILES: CC1=CC2=C(C=C1)N=CN2
| PubChem CID | 11979 |
|---|---|
| CAS | 614-97-1 |
| Molecular Weight (g/mol) | 132.166 |
| ChEBI | CHEBI:40205 |
| MDL Number | MFCD00010740 |
| SMILES | CC1=CC2=C(C=C1)N=CN2 |
| Synonym | 5-methylbenzimidazole,5-methyl-1h-benzo d imidazole,1h-benzimidazole, 5-methyl,5-methyl-1h-benzimidazole,benzimidazole, 5-methyl,ethyl 4-cyanophenylalaninate,1h-benzimidazole, 6-methyl,5-methyl-1h-1,3-benzodiazole,6-methyl-1h-1,3-benzodiazole,5mb |
| IUPAC Name | 6-methyl-1H-benzimidazole |
| InChI Key | RWXZXCZBMQPOBF-UHFFFAOYSA-N |
| Molecular Formula | C8H8N2 |
2-(4-Pyridyl)benzimidazole 98.0+%, TCI America™
CAS: 2208-59-5 Molecular Formula: C12H9N3 Molecular Weight (g/mol): 195.23 MDL Number: MFCD00453948 InChI Key: UYWWLYCGNNCLKE-UHFFFAOYSA-N Synonym: 2-4-pyridyl benzimidazole,2-pyridin-4-yl-1h-benzo d imidazole,2-pyridin-4-yl-1h-benzimidazole,2-pyridin-4-yl-1h-1,3-benzodiazole,2-4-pyridyl-1h-benzimidazole,2-pyridin-4-yl-1h-benzoimidazole,2-benzimidazole,acmc-1ch3h,cambridge id 5231114,2-4-pyridinyl-benzimidazole PubChem CID: 247634 IUPAC Name: 2-(pyridin-4-yl)-1H-1,3-benzodiazole SMILES: N1C2=CC=CC=C2N=C1C1=CC=NC=C1
| PubChem CID | 247634 |
|---|---|
| CAS | 2208-59-5 |
| Molecular Weight (g/mol) | 195.23 |
| MDL Number | MFCD00453948 |
| SMILES | N1C2=CC=CC=C2N=C1C1=CC=NC=C1 |
| Synonym | 2-4-pyridyl benzimidazole,2-pyridin-4-yl-1h-benzo d imidazole,2-pyridin-4-yl-1h-benzimidazole,2-pyridin-4-yl-1h-1,3-benzodiazole,2-4-pyridyl-1h-benzimidazole,2-pyridin-4-yl-1h-benzoimidazole,2-benzimidazole,acmc-1ch3h,cambridge id 5231114,2-4-pyridinyl-benzimidazole |
| IUPAC Name | 2-(pyridin-4-yl)-1H-1,3-benzodiazole |
| InChI Key | UYWWLYCGNNCLKE-UHFFFAOYSA-N |
| Molecular Formula | C12H9N3 |
7-Methylindole 98.0+%, TCI America™
CAS: 933-67-5 Molecular Formula: C9H9N Molecular Weight (g/mol): 131.178 InChI Key: KGWPHCDTOLQQEP-UHFFFAOYSA-N Synonym: 7-methylindole,7-methylindol,1h-indole, 7-methyl,indole, 7-methyl,7-methyindole,7-methyl-indole,7-methyl indole,unii-7z1e6hit9s,7z1e6hit9s,7-methyl-1h-indol-1-yl PubChem CID: 70275 IUPAC Name: 7-methyl-1H-indole SMILES: CC1=CC=CC2=C1NC=C2
| PubChem CID | 70275 |
|---|---|
| CAS | 933-67-5 |
| Molecular Weight (g/mol) | 131.178 |
| SMILES | CC1=CC=CC2=C1NC=C2 |
| Synonym | 7-methylindole,7-methylindol,1h-indole, 7-methyl,indole, 7-methyl,7-methyindole,7-methyl-indole,7-methyl indole,unii-7z1e6hit9s,7z1e6hit9s,7-methyl-1h-indol-1-yl |
| IUPAC Name | 7-methyl-1H-indole |
| InChI Key | KGWPHCDTOLQQEP-UHFFFAOYSA-N |
| Molecular Formula | C9H9N |
2-Amino-5,6-dimethylbenzothiazole 98.0+%, TCI America™
CAS: 29927-08-0 Molecular Formula: C9H10N2S Molecular Weight (g/mol): 178.25 MDL Number: MFCD00005790 InChI Key: IODWHFFPQHUDAG-UHFFFAOYSA-N PubChem CID: 34757 IUPAC Name: 5,6-dimethyl-1,3-benzothiazol-2-amine SMILES: CC1=C(C)C=C2N=C(N)SC2=C1
| PubChem CID | 34757 |
|---|---|
| CAS | 29927-08-0 |
| Molecular Weight (g/mol) | 178.25 |
| MDL Number | MFCD00005790 |
| SMILES | CC1=C(C)C=C2N=C(N)SC2=C1 |
| IUPAC Name | 5,6-dimethyl-1,3-benzothiazol-2-amine |
| InChI Key | IODWHFFPQHUDAG-UHFFFAOYSA-N |
| Molecular Formula | C9H10N2S |
2-Thiopheneboronic Acid (contains varying amounts of Anhydride), TCI America™
CAS: 6165-68-0 Molecular Formula: C4H5BO2S Molecular Weight (g/mol): 127.95 MDL Number: MFCD00151850 InChI Key: ARYHTUPFQTUBBG-UHFFFAOYSA-N Synonym: thiophene-2-boronic acid,2-thiopheneboronic acid,2-thienylboronic acid,thienylboronic acid,2-thiopheneboronicacid,thiophen-2-ylboranediol,thiophene2-boronic acid,thiophen-2-yl boronic acid,2-thiophenylboric acid,boronic acid, thienyl PubChem CID: 2733960 IUPAC Name: (thiophen-2-yl)boronic acid SMILES: OB(O)C1=CC=CS1
| PubChem CID | 2733960 |
|---|---|
| CAS | 6165-68-0 |
| Molecular Weight (g/mol) | 127.95 |
| MDL Number | MFCD00151850 |
| SMILES | OB(O)C1=CC=CS1 |
| Synonym | thiophene-2-boronic acid,2-thiopheneboronic acid,2-thienylboronic acid,thienylboronic acid,2-thiopheneboronicacid,thiophen-2-ylboranediol,thiophene2-boronic acid,thiophen-2-yl boronic acid,2-thiophenylboric acid,boronic acid, thienyl |
| IUPAC Name | (thiophen-2-yl)boronic acid |
| InChI Key | ARYHTUPFQTUBBG-UHFFFAOYSA-N |
| Molecular Formula | C4H5BO2S |
4,4,5,5-Tetramethyl-1,3,2-dioxaphospholane 2-Oxide 95.0+%, TCI America™
CAS: 16352-18-4 Molecular Formula: C6H12O3P+ Molecular Weight (g/mol): 163.133 MDL Number: MFCD09836231 InChI Key: MWVBQXVOGPKEII-UHFFFAOYSA-N PubChem CID: 11309699 IUPAC Name: 4,4,5,5-tetramethyl-1,3,2-dioxaphospholan-2-ium 2-oxide SMILES: CC1(C(O[P+](=O)O1)(C)C)C
| PubChem CID | 11309699 |
|---|---|
| CAS | 16352-18-4 |
| Molecular Weight (g/mol) | 163.133 |
| MDL Number | MFCD09836231 |
| SMILES | CC1(C(O[P+](=O)O1)(C)C)C |
| IUPAC Name | 4,4,5,5-tetramethyl-1,3,2-dioxaphospholan-2-ium 2-oxide |
| InChI Key | MWVBQXVOGPKEII-UHFFFAOYSA-N |
| Molecular Formula | C6H12O3P+ |
4-Methoxybenzyl 3-Chloromethyl-7-(2-phenylacetamido)-3-cephem-4-carboxylate 98.0+%, TCI America™
CAS: 104146-10-3 Molecular Formula: C24H23ClN2O5S Molecular Weight (g/mol): 486.97 MDL Number: MFCD00191253,MFCD00191253 InChI Key: KFCMZNUGNLCSJQ-UHFFFAOYNA-N Synonym: 3-Chloromethyl-7-(2-phenylacetamido)-3-cephem-4-carboxylic Acid 4-Methoxybenzyl Ester PubChem CID: 13822075 IUPAC Name: (4-methoxyphenyl)methyl 3-(chloromethyl)-8-oxo-7-(2-phenylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate SMILES: COC1=CC=C(COC(=O)C2=C(CCl)CSC3C(NC(=O)CC4=CC=CC=C4)C(=O)N23)C=C1
| PubChem CID | 13822075 |
|---|---|
| CAS | 104146-10-3 |
| Molecular Weight (g/mol) | 486.97 |
| MDL Number | MFCD00191253,MFCD00191253 |
| SMILES | COC1=CC=C(COC(=O)C2=C(CCl)CSC3C(NC(=O)CC4=CC=CC=C4)C(=O)N23)C=C1 |
| Synonym | 3-Chloromethyl-7-(2-phenylacetamido)-3-cephem-4-carboxylic Acid 4-Methoxybenzyl Ester |
| IUPAC Name | (4-methoxyphenyl)methyl 3-(chloromethyl)-8-oxo-7-(2-phenylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate |
| InChI Key | KFCMZNUGNLCSJQ-UHFFFAOYNA-N |
| Molecular Formula | C24H23ClN2O5S |
Ceftizoxime 98.0+%, TCI America™
CAS: 68401-81-0 Molecular Formula: C13H13N5O5S2 Molecular Weight (g/mol): 383.40 MDL Number: MFCD00072000 InChI Key: NNULBSISHYWZJU-LLKWHZGFSA-N PubChem CID: 12775087 IUPAC Name: (6R,7R)-7-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid SMILES: [H][C@]12SCC=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CSC(N)=N1)C(O)=O
| PubChem CID | 12775087 |
|---|---|
| CAS | 68401-81-0 |
| Molecular Weight (g/mol) | 383.40 |
| MDL Number | MFCD00072000 |
| SMILES | [H][C@]12SCC=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CSC(N)=N1)C(O)=O |
| IUPAC Name | (6R,7R)-7-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
| InChI Key | NNULBSISHYWZJU-LLKWHZGFSA-N |
| Molecular Formula | C13H13N5O5S2 |