Organoheterocyclic compounds
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Thermo Scientific Chemicals 1,6-Anhydro-beta-D-glucopyranose, 99+%
CAS: 498-07-7 Molecular Formula: C6H10O5 Molecular Weight (g/mol): 162.14 MDL Number: MFCD00063248 InChI Key: TWNIBLMWSKIRAT-UHFFFAOYNA-N Synonym: 1,6-anhydro-beta-d-glucopyranose,levoglucosan,leucoglucosan,1,6-anhydro-beta-d-glucose,1,6-anhydro-beta-glucopyranose,glucosan,1,6-anhydroglucose,unii-5132n17fsd,anhydroglucose,1,6-anhydro-d-glucose PubChem CID: 2724705 ChEBI: CHEBI:30997 SMILES: OC1C2COC(O2)C(O)C1O
| PubChem CID | 2724705 |
|---|---|
| CAS | 498-07-7 |
| Molecular Weight (g/mol) | 162.14 |
| ChEBI | CHEBI:30997 |
| MDL Number | MFCD00063248 |
| SMILES | OC1C2COC(O2)C(O)C1O |
| Synonym | 1,6-anhydro-beta-d-glucopyranose,levoglucosan,leucoglucosan,1,6-anhydro-beta-d-glucose,1,6-anhydro-beta-glucopyranose,glucosan,1,6-anhydroglucose,unii-5132n17fsd,anhydroglucose,1,6-anhydro-d-glucose |
| InChI Key | TWNIBLMWSKIRAT-UHFFFAOYNA-N |
| Molecular Formula | C6H10O5 |
1-Boc-3-(methylamino)piperidine, 97%
CAS: 392331-89-4 Molecular Formula: C11H22N2O2 Molecular Weight (g/mol): 214.31 MDL Number: MFCD04114980,MFCD09752963 InChI Key: XRRRUOWSHGFPTI-UHFFFAOYNA-N Synonym: 1-boc-3-methylaminopiperidine,tert-butyl 3-methylamino piperidine-1-carboxylate,1-boc-3-methylaminopieridine,n-boc-3-methylamino piperidine,1-n-boc-3-methylaminopiperidine,1-boc-3-methykaminopiperidine,n-boc-3-methylaminopiperidine,3-methylamino-piperidine-1-carboxylic acid tert-butyl ester,1-boc-3-methylamino piperidine,3-methylamino piperidine-1-carboxylic acid tert-butyl ester PubChem CID: 17750458 IUPAC Name: tert-butyl 3-(methylamino)piperidine-1-carboxylate SMILES: CNC1CCCN(C1)C(=O)OC(C)(C)C
| PubChem CID | 17750458 |
|---|---|
| CAS | 392331-89-4 |
| Molecular Weight (g/mol) | 214.31 |
| MDL Number | MFCD04114980,MFCD09752963 |
| SMILES | CNC1CCCN(C1)C(=O)OC(C)(C)C |
| Synonym | 1-boc-3-methylaminopiperidine,tert-butyl 3-methylamino piperidine-1-carboxylate,1-boc-3-methylaminopieridine,n-boc-3-methylamino piperidine,1-n-boc-3-methylaminopiperidine,1-boc-3-methykaminopiperidine,n-boc-3-methylaminopiperidine,3-methylamino-piperidine-1-carboxylic acid tert-butyl ester,1-boc-3-methylamino piperidine,3-methylamino piperidine-1-carboxylic acid tert-butyl ester |
| IUPAC Name | tert-butyl 3-(methylamino)piperidine-1-carboxylate |
| InChI Key | XRRRUOWSHGFPTI-UHFFFAOYNA-N |
| Molecular Formula | C11H22N2O2 |
3-(Tetrahydropyran-2-yloxy)prop-1-en-1-ylboronic acid pinacol ester, 90%
CAS: 642066-70-4 Molecular Formula: C14H25BO4 Molecular Weight (g/mol): 268.16 MDL Number: MFCD03788736 InChI Key: MHSOBXCZCRNELG-UHFFFAOYNA-N Synonym: 4,4,5,5-tetramethyl-2-3-tetrahydro-2h-pyran-2-yl oxy prop-1-en-1-yl-1,3,2-dioxaborolane,2-3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl prop-2-en-1-yl oxy oxane,4,4,5,5-tetramethyl-2-3-oxan-2-yloxy prop-1-en-1-yl-1,3,2-dioxaborolane PubChem CID: 53406456 IUPAC Name: 4,4,5,5-tetramethyl-2-[3-(oxan-2-yloxy)prop-1-enyl]-1,3,2-dioxaborolane SMILES: CC1(C)OB(OC1(C)C)C=CCOC1CCCCO1
| PubChem CID | 53406456 |
|---|---|
| CAS | 642066-70-4 |
| Molecular Weight (g/mol) | 268.16 |
| MDL Number | MFCD03788736 |
| SMILES | CC1(C)OB(OC1(C)C)C=CCOC1CCCCO1 |
| Synonym | 4,4,5,5-tetramethyl-2-3-tetrahydro-2h-pyran-2-yl oxy prop-1-en-1-yl-1,3,2-dioxaborolane,2-3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl prop-2-en-1-yl oxy oxane,4,4,5,5-tetramethyl-2-3-oxan-2-yloxy prop-1-en-1-yl-1,3,2-dioxaborolane |
| IUPAC Name | 4,4,5,5-tetramethyl-2-[3-(oxan-2-yloxy)prop-1-enyl]-1,3,2-dioxaborolane |
| InChI Key | MHSOBXCZCRNELG-UHFFFAOYNA-N |
| Molecular Formula | C14H25BO4 |
3-(4,4-Dimethyl-2-oxazolinyl)pyridine, 97%
CAS: 68981-86-2 Molecular Formula: C10H12N2O Molecular Weight (g/mol): 176.219 MDL Number: MFCD01313220 InChI Key: XYABHURTMBEOGW-UHFFFAOYSA-N Synonym: 4,5-dihydro-4,4-dimethyl-2-3-pyridyl oxazole,3-4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl pyridine,4,5-dihydro-4,4-dimethyl-2-pyrid-3-yl oxazole,4,4-dimethyl-2-pyridin-3-yl-4,5-dihydrooxazole,3-4,4-dimethyl-5h-1,3-oxazol-2-yl pyridine,4,4-dimethyl-2-3-pyridyl-1,3-oxazoline,pubchem8698,3-4,4-dimethyl-2-oxazolinyl pyridine,4,4-dimethyl-2-3-pyridyl-oxazoline,4,4-dimethyl-2-3-pyridinyl-5h-oxazole PubChem CID: 2736129 IUPAC Name: 4,4-dimethyl-2-pyridin-3-yl-5H-1,3-oxazole SMILES: CC1(COC(=N1)C2=CN=CC=C2)C
| PubChem CID | 2736129 |
|---|---|
| CAS | 68981-86-2 |
| Molecular Weight (g/mol) | 176.219 |
| MDL Number | MFCD01313220 |
| SMILES | CC1(COC(=N1)C2=CN=CC=C2)C |
| Synonym | 4,5-dihydro-4,4-dimethyl-2-3-pyridyl oxazole,3-4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl pyridine,4,5-dihydro-4,4-dimethyl-2-pyrid-3-yl oxazole,4,4-dimethyl-2-pyridin-3-yl-4,5-dihydrooxazole,3-4,4-dimethyl-5h-1,3-oxazol-2-yl pyridine,4,4-dimethyl-2-3-pyridyl-1,3-oxazoline,pubchem8698,3-4,4-dimethyl-2-oxazolinyl pyridine,4,4-dimethyl-2-3-pyridyl-oxazoline,4,4-dimethyl-2-3-pyridinyl-5h-oxazole |
| IUPAC Name | 4,4-dimethyl-2-pyridin-3-yl-5H-1,3-oxazole |
| InChI Key | XYABHURTMBEOGW-UHFFFAOYSA-N |
| Molecular Formula | C10H12N2O |
2,4,6-Tris(2-pyridyl)-s-triazine, For Spectrophotometric Det. of Fe, 99.0% (HPLC), MilliporeSigma™ Supelco™
CAS: 3682-35-7 Molecular Formula: C18H12N6 Molecular Weight (g/mol): 312.34 MDL Number: MFCD00006045 InChI Key: KMVWNDHKTPHDMT-UHFFFAOYSA-N Synonym: 2,4,6-Tri(2-pyridyl)-s-triazine; TPTZ IUPAC Name: tris(pyridin-2-yl)-1,3,5-triazine SMILES: C1=CC=C(N=C1)C1=NC(=NC(=N1)C1=CC=CC=N1)C1=CC=CC=N1
| CAS | 3682-35-7 |
|---|---|
| Molecular Weight (g/mol) | 312.34 |
| MDL Number | MFCD00006045 |
| SMILES | C1=CC=C(N=C1)C1=NC(=NC(=N1)C1=CC=CC=N1)C1=CC=CC=N1 |
| Synonym | 2,4,6-Tri(2-pyridyl)-s-triazine; TPTZ |
| IUPAC Name | tris(pyridin-2-yl)-1,3,5-triazine |
| InChI Key | KMVWNDHKTPHDMT-UHFFFAOYSA-N |
| Molecular Formula | C18H12N6 |
3-Methylisoxazole-4-carboxylic acid, 98+%, Thermo Scientific Chemicals
CAS: 17153-20-7 Molecular Formula: C5H5NO3 Molecular Weight (g/mol): 127.099 MDL Number: MFCD01318161 InChI Key: YBLSBWHFPXDRHC-UHFFFAOYSA-N Synonym: 3-methylisoxazole-4-carboxylic acid,3-methyl-4-isoxazolecarboxylic acid,3-methyl-4-isoxazolecarboxylicacid,3-methyl-isoxazole-4-carboxylic acid,4-isoxazolecarboxylic acid, 3-methyl,3-methylisoxazole-4-carboxylicacid,pubchem10465,acmc-1c78i,3-methylisoxazole-s-carboxylic acid,4-isoxazolecarboxylicacid,3-methyl PubChem CID: 4589692 IUPAC Name: 3-methyl-1,2-oxazole-4-carboxylic acid SMILES: CC1=NOC=C1C(=O)O
| PubChem CID | 4589692 |
|---|---|
| CAS | 17153-20-7 |
| Molecular Weight (g/mol) | 127.099 |
| MDL Number | MFCD01318161 |
| SMILES | CC1=NOC=C1C(=O)O |
| Synonym | 3-methylisoxazole-4-carboxylic acid,3-methyl-4-isoxazolecarboxylic acid,3-methyl-4-isoxazolecarboxylicacid,3-methyl-isoxazole-4-carboxylic acid,4-isoxazolecarboxylic acid, 3-methyl,3-methylisoxazole-4-carboxylicacid,pubchem10465,acmc-1c78i,3-methylisoxazole-s-carboxylic acid,4-isoxazolecarboxylicacid,3-methyl |
| IUPAC Name | 3-methyl-1,2-oxazole-4-carboxylic acid |
| InChI Key | YBLSBWHFPXDRHC-UHFFFAOYSA-N |
| Molecular Formula | C5H5NO3 |
Piperine, 98%
CAS: 94-62-2 Molecular Formula: C17H19NO3 Molecular Weight (g/mol): 285.34 MDL Number: MFCD00005839 InChI Key: MXXWOMGUGJBKIW-YPCIICBESA-N Synonym: piperine,1-piperoylpiperidine,piperin,bioperine,piperoylpiperidine,e,e-1-piperoylpiperidine,n-e,e-piperoyl piperidine,piperidine, 1-piperoyl-, e,e,unii-u71xl721qk,fema no. 2909 PubChem CID: 638024 ChEBI: CHEBI:28821 IUPAC Name: (2E,4E)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one SMILES: O=C(\C=C\C=C\C1=CC=C2OCOC2=C1)N1CCCCC1
| PubChem CID | 638024 |
|---|---|
| CAS | 94-62-2 |
| Molecular Weight (g/mol) | 285.34 |
| ChEBI | CHEBI:28821 |
| MDL Number | MFCD00005839 |
| SMILES | O=C(\C=C\C=C\C1=CC=C2OCOC2=C1)N1CCCCC1 |
| Synonym | piperine,1-piperoylpiperidine,piperin,bioperine,piperoylpiperidine,e,e-1-piperoylpiperidine,n-e,e-piperoyl piperidine,piperidine, 1-piperoyl-, e,e,unii-u71xl721qk,fema no. 2909 |
| IUPAC Name | (2E,4E)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one |
| InChI Key | MXXWOMGUGJBKIW-YPCIICBESA-N |
| Molecular Formula | C17H19NO3 |
Phthalocyanine
CAS: 574-93-6 Molecular Formula: C32H18N8 Molecular Weight (g/mol): 514.552 MDL Number: MFCD00005085 InChI Key: IEQIEDJGQAUEQZ-UHFFFAOYSA-N Synonym: phthalocyanine,pigment blue 16,29h,31h-phthalocyanine,phthalocyanin,heliogen blue g,polymon blue g,lionol blue kw,irgazin blue 3gt,ftalocianina,ci pigment blue 16 PubChem CID: 5282330 ChEBI: CHEBI:34921 SMILES: C1=CC=C2C(=C1)C3=NC4=C5C=CC=CC5=C(N4)N=C6C7=CC=CC=C7C(=N6)N=C8C9=CC=CC=C9C(=N8)N=C2N3
| PubChem CID | 5282330 |
|---|---|
| CAS | 574-93-6 |
| Molecular Weight (g/mol) | 514.552 |
| ChEBI | CHEBI:34921 |
| MDL Number | MFCD00005085 |
| SMILES | C1=CC=C2C(=C1)C3=NC4=C5C=CC=CC5=C(N4)N=C6C7=CC=CC=C7C(=N6)N=C8C9=CC=CC=C9C(=N8)N=C2N3 |
| Synonym | phthalocyanine,pigment blue 16,29h,31h-phthalocyanine,phthalocyanin,heliogen blue g,polymon blue g,lionol blue kw,irgazin blue 3gt,ftalocianina,ci pigment blue 16 |
| InChI Key | IEQIEDJGQAUEQZ-UHFFFAOYSA-N |
| Molecular Formula | C32H18N8 |
8-Hydroxy-7-iodo-5-quinolinesulfonic Acid, For Spectrophotometric Det. of Fe(III), 98.5%, MilliporeSigma™ Supelco™
CAS: 547-91-1 Molecular Formula: C10H7INNaO7S Molecular Weight (g/mol): 435.12 MDL Number: MFCD00006793 InChI Key: FNXKBSAUKFCXIK-UHFFFAOYSA-M Synonym: Ferron; Iodoxyquinolinesulfonic acid IUPAC Name: sodium 8-hydroxy-7-iodoquinoline-5-sulfonic acid hydrogen carbonate SMILES: [Na+].OC([O-])=O.OC1=C2N=CC=CC2=C(C=C1I)S(O)(=O)=O
| CAS | 547-91-1 |
|---|---|
| Molecular Weight (g/mol) | 435.12 |
| MDL Number | MFCD00006793 |
| SMILES | [Na+].OC([O-])=O.OC1=C2N=CC=CC2=C(C=C1I)S(O)(=O)=O |
| Synonym | Ferron; Iodoxyquinolinesulfonic acid |
| IUPAC Name | sodium 8-hydroxy-7-iodoquinoline-5-sulfonic acid hydrogen carbonate |
| InChI Key | FNXKBSAUKFCXIK-UHFFFAOYSA-M |
| Molecular Formula | C10H7INNaO7S |
4,4,4,4-(Porphine-5,10,15,20-tetrayl)tetrakis(benzenesulfonic acid), ≥95.0%, MilliporeSigma™ Supelco™
MDL Number: MFCD00070632 Synonym: meso-Tetraphenylporphine-4,4 ′,4 ′′,4 ′′′-tetrasulfonic acid
| MDL Number | MFCD00070632 |
|---|---|
| Synonym | meso-Tetraphenylporphine-4,4 ′,4 ′′,4 ′′′-tetrasulfonic acid |
2-Iodo-3-methylpyridine, 97%
CAS: 22282-58-2 Molecular Formula: C6H6IN Molecular Weight (g/mol): 219.03 MDL Number: MFCD04039350 InChI Key: PTBOOHAPESUXGV-UHFFFAOYSA-N PubChem CID: 339045 IUPAC Name: 2-iodo-3-methylpyridine SMILES: CC1=CC=CN=C1I
| PubChem CID | 339045 |
|---|---|
| CAS | 22282-58-2 |
| Molecular Weight (g/mol) | 219.03 |
| MDL Number | MFCD04039350 |
| SMILES | CC1=CC=CN=C1I |
| IUPAC Name | 2-iodo-3-methylpyridine |
| InChI Key | PTBOOHAPESUXGV-UHFFFAOYSA-N |
| Molecular Formula | C6H6IN |
5-Vinyluracil, 97%
CAS: 37107-81-6 Molecular Formula: C6H6N2O2 Molecular Weight (g/mol): 138.13 MDL Number: MFCD00913267 InChI Key: ZRYZBEQILKESAW-UHFFFAOYSA-N Synonym: 5-vinyluracil,5-ethenyl-2,4 1h,3h-pyrimidinedione,5-ethenyluracil,5-vinyl-1h-pyrimidine-2,4-dione,5-vinylpyrimidine-2,4 1h,3h-dione,5-ethenyl-1,3-dihydropyrimidine-2,4-dione,5-ethenylpyrimidine-2,4-diol,acmc-1aif7,2,4 1h,3h-pyrimidinedione,5-ethenyl PubChem CID: 99305 IUPAC Name: 5-ethenyl-1H-pyrimidine-2,4-dione SMILES: C=CC1=CNC(=O)NC1=O
| PubChem CID | 99305 |
|---|---|
| CAS | 37107-81-6 |
| Molecular Weight (g/mol) | 138.13 |
| MDL Number | MFCD00913267 |
| SMILES | C=CC1=CNC(=O)NC1=O |
| Synonym | 5-vinyluracil,5-ethenyl-2,4 1h,3h-pyrimidinedione,5-ethenyluracil,5-vinyl-1h-pyrimidine-2,4-dione,5-vinylpyrimidine-2,4 1h,3h-dione,5-ethenyl-1,3-dihydropyrimidine-2,4-dione,5-ethenylpyrimidine-2,4-diol,acmc-1aif7,2,4 1h,3h-pyrimidinedione,5-ethenyl |
| IUPAC Name | 5-ethenyl-1H-pyrimidine-2,4-dione |
| InChI Key | ZRYZBEQILKESAW-UHFFFAOYSA-N |
| Molecular Formula | C6H6N2O2 |
Ethyl 5-nitro-2-furoate, 97%
CAS: 943-37-3 Molecular Formula: C7H7NO5 Molecular Weight (g/mol): 185.135 MDL Number: MFCD00092566 InChI Key: JMNXLAQKIHVFIC-UHFFFAOYSA-N PubChem CID: 70341 IUPAC Name: ethyl 5-nitrofuran-2-carboxylate SMILES: CCOC(=O)C1=CC=C(O1)[N+](=O)[O-]
| PubChem CID | 70341 |
|---|---|
| CAS | 943-37-3 |
| Molecular Weight (g/mol) | 185.135 |
| MDL Number | MFCD00092566 |
| SMILES | CCOC(=O)C1=CC=C(O1)[N+](=O)[O-] |
| IUPAC Name | ethyl 5-nitrofuran-2-carboxylate |
| InChI Key | JMNXLAQKIHVFIC-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO5 |
Benzo[b]thiophene-2-carboxylic hydrazide, 97%
CAS: 175135-07-6 Molecular Formula: C9H8N2OS Molecular Weight (g/mol): 192.24 MDL Number: MFCD00052501 InChI Key: ZXKPFIRPUUAAPQ-UHFFFAOYSA-N Synonym: benzo b thiophene-2-carbohydrazide,benzo b thiophene-2-carboxylic hydrazide,thianaphthene-2-carboxylic hydrazide,benzo b thiophene-2-carboxylicacid, hydrazide,maybridge1_008989,acmc-1c3go,#,benzo b thiophene-2-carboxylic acid hydrazide PubChem CID: 519437 IUPAC Name: 1-benzothiophene-2-carbohydrazide SMILES: NNC(=O)C1=CC2=CC=CC=C2S1
| PubChem CID | 519437 |
|---|---|
| CAS | 175135-07-6 |
| Molecular Weight (g/mol) | 192.24 |
| MDL Number | MFCD00052501 |
| SMILES | NNC(=O)C1=CC2=CC=CC=C2S1 |
| Synonym | benzo b thiophene-2-carbohydrazide,benzo b thiophene-2-carboxylic hydrazide,thianaphthene-2-carboxylic hydrazide,benzo b thiophene-2-carboxylicacid, hydrazide,maybridge1_008989,acmc-1c3go,#,benzo b thiophene-2-carboxylic acid hydrazide |
| IUPAC Name | 1-benzothiophene-2-carbohydrazide |
| InChI Key | ZXKPFIRPUUAAPQ-UHFFFAOYSA-N |
| Molecular Formula | C9H8N2OS |