Organoheterocyclic compounds
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6-Mercaptopurine monohydrate, 98%
CAS: 6112-76-1 Molecular Formula: C5H6N4OS Molecular Weight (g/mol): 170.19 MDL Number: MFCD03854445,MFCD01461928 InChI Key: WFFQYWAAEWLHJC-UHFFFAOYSA-N Synonym: 6-mercaptopurine monohydrate,6-mercaptopurine hydrate,mercaptopurine monohydrate,mercaptopurine hydrate,6h-purine-6-thione, 1,7-dihydro-, monohydrate,6,7-dihydro-3h-purine-6-thione hydrate,purine-6-thiol monohydrate,1,7-dihydro-6h-purine-6-thione monohydrate,purine-6-thiol, monohydrate,unii-e7wed276i5 PubChem CID: 2724350 ChEBI: CHEBI:31822 IUPAC Name: 3,7-dihydropurine-6-thione;hydrate SMILES: O.S=C1N=CNC2=C1NC=N2
| PubChem CID | 2724350 |
|---|---|
| CAS | 6112-76-1 |
| Molecular Weight (g/mol) | 170.19 |
| ChEBI | CHEBI:31822 |
| MDL Number | MFCD03854445,MFCD01461928 |
| SMILES | O.S=C1N=CNC2=C1NC=N2 |
| Synonym | 6-mercaptopurine monohydrate,6-mercaptopurine hydrate,mercaptopurine monohydrate,mercaptopurine hydrate,6h-purine-6-thione, 1,7-dihydro-, monohydrate,6,7-dihydro-3h-purine-6-thione hydrate,purine-6-thiol monohydrate,1,7-dihydro-6h-purine-6-thione monohydrate,purine-6-thiol, monohydrate,unii-e7wed276i5 |
| IUPAC Name | 3,7-dihydropurine-6-thione;hydrate |
| InChI Key | WFFQYWAAEWLHJC-UHFFFAOYSA-N |
| Molecular Formula | C5H6N4OS |
3,5-Dimethylisoxazole, 99%
CAS: 300-87-8 Molecular Formula: C5H7NO Molecular Weight (g/mol): 97.117 MDL Number: MFCD00003156 InChI Key: FICAQKBMCKEFDI-UHFFFAOYSA-N Synonym: 3,5-dimethylisoxazole,isoxazole, 3,5-dimethyl,3,5-dimethylisooxazole,3,5-dwumetyloizoksazolu,3,5-dwumetyloizoksazolu polish,3,5-dimethylisoxazol,pubchem8641,isoxazole,5-dimethyl,3,5-dimethyl-isoxazole PubChem CID: 9312 IUPAC Name: 3,5-dimethyl-1,2-oxazole SMILES: CC1=CC(=NO1)C
| PubChem CID | 9312 |
|---|---|
| CAS | 300-87-8 |
| Molecular Weight (g/mol) | 97.117 |
| MDL Number | MFCD00003156 |
| SMILES | CC1=CC(=NO1)C |
| Synonym | 3,5-dimethylisoxazole,isoxazole, 3,5-dimethyl,3,5-dimethylisooxazole,3,5-dwumetyloizoksazolu,3,5-dwumetyloizoksazolu polish,3,5-dimethylisoxazol,pubchem8641,isoxazole,5-dimethyl,3,5-dimethyl-isoxazole |
| IUPAC Name | 3,5-dimethyl-1,2-oxazole |
| InChI Key | FICAQKBMCKEFDI-UHFFFAOYSA-N |
| Molecular Formula | C5H7NO |
Dimidium Bromide, 97%, Spectrum™ Chemical
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CAS: 518-67-2
| CAS | 518-67-2 |
|---|
5-Bromo-2-cyanopyrimidine, 95%
CAS: 38275-57-9 Molecular Formula: C5H2BrN3 Molecular Weight (g/mol): 183.996 MDL Number: MFCD02940446 InChI Key: VPQICCOHFSGBMA-UHFFFAOYSA-N Synonym: 5-bromo-2-cyanopyrimidine,5-bromo-2-pyrimidinecarbonitrile,2-pyrimidinecarbonitrile, 5-bromo,5-bromo-pyrimidine-2-carbonitile,2-cyano-5-bromopyrimidine,pubchem5278,acmc-1ad2b,5-bromo-2-cyano-pyrimidine,ksc497m1f,5-bromo-pyrimidine-2-carbonitrile PubChem CID: 686546 IUPAC Name: 5-bromopyrimidine-2-carbonitrile SMILES: C1=C(C=NC(=N1)C#N)Br
| PubChem CID | 686546 |
|---|---|
| CAS | 38275-57-9 |
| Molecular Weight (g/mol) | 183.996 |
| MDL Number | MFCD02940446 |
| SMILES | C1=C(C=NC(=N1)C#N)Br |
| Synonym | 5-bromo-2-cyanopyrimidine,5-bromo-2-pyrimidinecarbonitrile,2-pyrimidinecarbonitrile, 5-bromo,5-bromo-pyrimidine-2-carbonitile,2-cyano-5-bromopyrimidine,pubchem5278,acmc-1ad2b,5-bromo-2-cyano-pyrimidine,ksc497m1f,5-bromo-pyrimidine-2-carbonitrile |
| IUPAC Name | 5-bromopyrimidine-2-carbonitrile |
| InChI Key | VPQICCOHFSGBMA-UHFFFAOYSA-N |
| Molecular Formula | C5H2BrN3 |
1-Boc-2-phenylpiperazine, 97%
CAS: 886766-60-5 Molecular Formula: C15H22N2O2 Molecular Weight (g/mol): 262.353 MDL Number: MFCD07367734 InChI Key: DVOURBIBCQYVCC-UHFFFAOYSA-N Synonym: 1-boc-2-phenylpiperazine,n-1-boc-2-phenyl piperizine,n-1-boc-2-phenylpiperazine,1-n-boc-2-phenylpiperazine,n-boc-2-bhenyl piperazine,2-phenylpiperazine, n1-boc protected,2-phenyl-piperazine-1-carboxylic acid tert-butyl ester,n1-boc-2-phenylpiperazine,n-1-boc-2-phenyl-piperazine,tert-butyl 2-phenylpiperazinecarboxylate PubChem CID: 16740572 IUPAC Name: tert-butyl 2-phenylpiperazine-1-carboxylate SMILES: CC(C)(C)OC(=O)N1CCNCC1C2=CC=CC=C2
| PubChem CID | 16740572 |
|---|---|
| CAS | 886766-60-5 |
| Molecular Weight (g/mol) | 262.353 |
| MDL Number | MFCD07367734 |
| SMILES | CC(C)(C)OC(=O)N1CCNCC1C2=CC=CC=C2 |
| Synonym | 1-boc-2-phenylpiperazine,n-1-boc-2-phenyl piperizine,n-1-boc-2-phenylpiperazine,1-n-boc-2-phenylpiperazine,n-boc-2-bhenyl piperazine,2-phenylpiperazine, n1-boc protected,2-phenyl-piperazine-1-carboxylic acid tert-butyl ester,n1-boc-2-phenylpiperazine,n-1-boc-2-phenyl-piperazine,tert-butyl 2-phenylpiperazinecarboxylate |
| IUPAC Name | tert-butyl 2-phenylpiperazine-1-carboxylate |
| InChI Key | DVOURBIBCQYVCC-UHFFFAOYSA-N |
| Molecular Formula | C15H22N2O2 |
Chromone-3-carboxylic acid, 98%
CAS: 39079-62-4 Molecular Formula: C10H6O4 Molecular Weight (g/mol): 190.154 MDL Number: MFCD00017338 InChI Key: PCIITXGDSHXTSN-UHFFFAOYSA-N Synonym: chromone-3-carboxylic acid,4-oxo-4h-chromene-3-carboxylic acid,4-oxo-4h-1-benzopyran-3-carboxylic acid,maybridge1_005842,3-carboxychromone,d04tgn,acmc-1ad65,4-oxo-chromene-3-carboxylic acid,4h-chromen-4-one-3-carboxylic acid PubChem CID: 181620 IUPAC Name: 4-oxochromene-3-carboxylic acid SMILES: C1=CC=C2C(=C1)C(=O)C(=CO2)C(=O)O
| PubChem CID | 181620 |
|---|---|
| CAS | 39079-62-4 |
| Molecular Weight (g/mol) | 190.154 |
| MDL Number | MFCD00017338 |
| SMILES | C1=CC=C2C(=C1)C(=O)C(=CO2)C(=O)O |
| Synonym | chromone-3-carboxylic acid,4-oxo-4h-chromene-3-carboxylic acid,4-oxo-4h-1-benzopyran-3-carboxylic acid,maybridge1_005842,3-carboxychromone,d04tgn,acmc-1ad65,4-oxo-chromene-3-carboxylic acid,4h-chromen-4-one-3-carboxylic acid |
| IUPAC Name | 4-oxochromene-3-carboxylic acid |
| InChI Key | PCIITXGDSHXTSN-UHFFFAOYSA-N |
| Molecular Formula | C10H6O4 |
3,5-Diphenylpyrazole, 99%
CAS: 1145-01-3 Molecular Formula: C15H12N2 Molecular Weight (g/mol): 220.28 MDL Number: MFCD00039675 InChI Key: JXHKUYQCEJILEI-UHFFFAOYSA-N Synonym: 3,5-diphenylpyrazole,1h-pyrazole, 3,5-diphenyl,pyrazole, 3,5-diphenyl,pyrazole,5-diphenyl,acmc-1bufo,1h-pyrazole,5-diphenyl,cbmicro_048085,3,5-diphenyl pyrazole,3,5-diphenyl-1h-pyrazole 5g PubChem CID: 70840 IUPAC Name: 3,5-diphenyl-1H-pyrazole SMILES: N1N=C(C=C1C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 70840 |
|---|---|
| CAS | 1145-01-3 |
| Molecular Weight (g/mol) | 220.28 |
| MDL Number | MFCD00039675 |
| SMILES | N1N=C(C=C1C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | 3,5-diphenylpyrazole,1h-pyrazole, 3,5-diphenyl,pyrazole, 3,5-diphenyl,pyrazole,5-diphenyl,acmc-1bufo,1h-pyrazole,5-diphenyl,cbmicro_048085,3,5-diphenyl pyrazole,3,5-diphenyl-1h-pyrazole 5g |
| IUPAC Name | 3,5-diphenyl-1H-pyrazole |
| InChI Key | JXHKUYQCEJILEI-UHFFFAOYSA-N |
| Molecular Formula | C15H12N2 |
5-Bromo-2-chloro-3-methylpyridine, 98%
CAS: 29241-60-9 Molecular Formula: C6H5BrClN Molecular Weight (g/mol): 206.467 MDL Number: MFCD03095093 InChI Key: YTSKHJMMNFPBBZ-UHFFFAOYSA-N Synonym: 2-chloro-3-methyl-5-bromopyridine,5-bromo-2-chloro-3-picoline,5-bromo-2-chloro-3-methyl pyridine,5-bromo-2-chloro-3-methyl-pyridine,pyridine, 5-bromo-2-chloro-3-methyl,2-chloro-5-bromo-3-picoline,2-chloro-3-methyl-5-bromo pyridine,pubchem1104,ksc495o9j PubChem CID: 285434 IUPAC Name: 5-bromo-2-chloro-3-methylpyridine SMILES: CC1=CC(=CN=C1Cl)Br
| PubChem CID | 285434 |
|---|---|
| CAS | 29241-60-9 |
| Molecular Weight (g/mol) | 206.467 |
| MDL Number | MFCD03095093 |
| SMILES | CC1=CC(=CN=C1Cl)Br |
| Synonym | 2-chloro-3-methyl-5-bromopyridine,5-bromo-2-chloro-3-picoline,5-bromo-2-chloro-3-methyl pyridine,5-bromo-2-chloro-3-methyl-pyridine,pyridine, 5-bromo-2-chloro-3-methyl,2-chloro-5-bromo-3-picoline,2-chloro-3-methyl-5-bromo pyridine,pubchem1104,ksc495o9j |
| IUPAC Name | 5-bromo-2-chloro-3-methylpyridine |
| InChI Key | YTSKHJMMNFPBBZ-UHFFFAOYSA-N |
| Molecular Formula | C6H5BrClN |
2,4,6-Tris(2-pyridyl)-s-triazine, For Spectrophotometric Det. of Fe, 98%, 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 |
2,4,6-Tri(2-pyridyl)-1,3,5-triazine, 98%
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-tripyridyl-s-triazine,2,4,6-tris 2-pyridyl-s-triazine,2,4,6-tri 2-pyridyl-1,3,5-triazine,terpyridyl-s-triazine,2,4,6-tri 2-pyridyl-s-triazine,tptz iron reagent,1,3,5-triazine, 2,4,6-tri-2-pyridinyl,tri-2-pyridyl-s-triazine,s-triazine, tri-2-pyridyl,2,4,6-tris 2-pyridyl-1,3,5-triazine PubChem CID: 77258 SMILES: C1=CC=C(N=C1)C1=NC(=NC(=N1)C1=CC=CC=N1)C1=CC=CC=N1
| PubChem CID | 77258 |
|---|---|
| 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-tripyridyl-s-triazine,2,4,6-tris 2-pyridyl-s-triazine,2,4,6-tri 2-pyridyl-1,3,5-triazine,terpyridyl-s-triazine,2,4,6-tri 2-pyridyl-s-triazine,tptz iron reagent,1,3,5-triazine, 2,4,6-tri-2-pyridinyl,tri-2-pyridyl-s-triazine,s-triazine, tri-2-pyridyl,2,4,6-tris 2-pyridyl-1,3,5-triazine |
| InChI Key | KMVWNDHKTPHDMT-UHFFFAOYSA-N |
| Molecular Formula | C18H12N6 |
5-Methylisophthalic acid, 98%
CAS: 499-49-0 Molecular Formula: C9H8O4 Molecular Weight (g/mol): 180.159 MDL Number: MFCD00013986 InChI Key: PMZBHPUNQNKBOA-UHFFFAOYSA-N Synonym: 5-methylisophthalic acid,uvitic acid,5-methyl-1,3-benzenedicarboxylic acid,isophthalic acid, 5-methyl,1,3-benzenedicarboxylic acid, 5-methyl,uvitinsaure,3,5-dicarboxytoluene,5-methylisophthalicacid,acmc-209kj2,ksc237e4t PubChem CID: 68137 IUPAC Name: 5-methylbenzene-1,3-dicarboxylic acid SMILES: CC1=CC(=CC(=C1)C(=O)O)C(=O)O
| PubChem CID | 68137 |
|---|---|
| CAS | 499-49-0 |
| Molecular Weight (g/mol) | 180.159 |
| MDL Number | MFCD00013986 |
| SMILES | CC1=CC(=CC(=C1)C(=O)O)C(=O)O |
| Synonym | 5-methylisophthalic acid,uvitic acid,5-methyl-1,3-benzenedicarboxylic acid,isophthalic acid, 5-methyl,1,3-benzenedicarboxylic acid, 5-methyl,uvitinsaure,3,5-dicarboxytoluene,5-methylisophthalicacid,acmc-209kj2,ksc237e4t |
| IUPAC Name | 5-methylbenzene-1,3-dicarboxylic acid |
| InChI Key | PMZBHPUNQNKBOA-UHFFFAOYSA-N |
| Molecular Formula | C9H8O4 |
Neocuproine hydrochloride monohydrate, For Spectrophotometric Det. of Cu, ≥99.0%, MilliporeSigma™ Supelco™
MDL Number: MFCD00150062 Synonym: 2,9-Dimethyl-1,10-phenanthroline hydrochloride
| MDL Number | MFCD00150062 |
|---|---|
| Synonym | 2,9-Dimethyl-1,10-phenanthroline hydrochloride |
1-Boc-imidazole, 98%
CAS: 49761-82-2 Molecular Formula: C8H12N2O2 Molecular Weight (g/mol): 168.196 MDL Number: MFCD00014497 InChI Key: MTBKGWHHOBJMHJ-UHFFFAOYSA-N Synonym: n-boc-imidazole,tert-butyl 1h-imidazole-1-carboxylate,n-tert-butoxycarbonylimidazole,1-tert-butoxycarbonyl imidazole,1h-imidazole-1-carboxylic acid, 1,1-dimethylethyl ester,imidazole-1-carboxylic acid tert-butyl ester,tert-butyl imidazolecarboxylate,1-boc-imidazole,acmc-209ki1,ksc237k5p PubChem CID: 521262 IUPAC Name: tert-butyl imidazole-1-carboxylate SMILES: CC(C)(C)OC(=O)N1C=CN=C1
| PubChem CID | 521262 |
|---|---|
| CAS | 49761-82-2 |
| Molecular Weight (g/mol) | 168.196 |
| MDL Number | MFCD00014497 |
| SMILES | CC(C)(C)OC(=O)N1C=CN=C1 |
| Synonym | n-boc-imidazole,tert-butyl 1h-imidazole-1-carboxylate,n-tert-butoxycarbonylimidazole,1-tert-butoxycarbonyl imidazole,1h-imidazole-1-carboxylic acid, 1,1-dimethylethyl ester,imidazole-1-carboxylic acid tert-butyl ester,tert-butyl imidazolecarboxylate,1-boc-imidazole,acmc-209ki1,ksc237k5p |
| IUPAC Name | tert-butyl imidazole-1-carboxylate |
| InChI Key | MTBKGWHHOBJMHJ-UHFFFAOYSA-N |
| Molecular Formula | C8H12N2O2 |
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 |
(S)-(-)-1-Boc-4-oxopiperidine-2-carboxylic acid, 95%, Thermo Scientific Chemicals
CAS: 198646-60-5 Molecular Formula: C11H17NO5 Molecular Weight (g/mol): 243.259 MDL Number: MFCD03094867 InChI Key: GPBCBXYUAJQMQM-QMMMGPOBSA-N Synonym: s-1-tert-butoxycarbonyl-4-oxopiperidine-2-carboxylic acid,s-1-boc-4-oxopipecolic acid,s---1-boc-4-oxopiperidine-2-carboxylic acid,s-1-boc-4-oxopiperidine-2-carboxylic acid,2s-1-tert-butoxycarbonyl-4-oxopiperidine-2-carboxylic acid,2s-1-tert-butoxy carbonyl-4-oxopiperidine-2-carboxylic acid,s-1-tert-butoxycarbonyl-4-oxopiperidine-2-carboxylicacid,2s-4-oxo-1,2-piperidinedicarboxylic acid 1-1,1-dimethylethyl ester,2s-n-boc-4-oxopipecolic acid,r-+-1-boc-4-oxopiperidine-2-carboxylic acid PubChem CID: 10857681 IUPAC Name: (2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxopiperidine-2-carboxylic acid SMILES: CC(C)(C)OC(=O)N1CCC(=O)CC1C(=O)O
| PubChem CID | 10857681 |
|---|---|
| CAS | 198646-60-5 |
| Molecular Weight (g/mol) | 243.259 |
| MDL Number | MFCD03094867 |
| SMILES | CC(C)(C)OC(=O)N1CCC(=O)CC1C(=O)O |
| Synonym | s-1-tert-butoxycarbonyl-4-oxopiperidine-2-carboxylic acid,s-1-boc-4-oxopipecolic acid,s---1-boc-4-oxopiperidine-2-carboxylic acid,s-1-boc-4-oxopiperidine-2-carboxylic acid,2s-1-tert-butoxycarbonyl-4-oxopiperidine-2-carboxylic acid,2s-1-tert-butoxy carbonyl-4-oxopiperidine-2-carboxylic acid,s-1-tert-butoxycarbonyl-4-oxopiperidine-2-carboxylicacid,2s-4-oxo-1,2-piperidinedicarboxylic acid 1-1,1-dimethylethyl ester,2s-n-boc-4-oxopipecolic acid,r-+-1-boc-4-oxopiperidine-2-carboxylic acid |
| IUPAC Name | (2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxopiperidine-2-carboxylic acid |
| InChI Key | GPBCBXYUAJQMQM-QMMMGPOBSA-N |
| Molecular Formula | C11H17NO5 |