Organoheterocyclic compounds
Filtered Search Results
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-Dioxo-1,2,3,4-tetrahydro-5-pyrimidinylboronic acid, 97%, Thermo Scientific™
CAS: 70523-22-7 Molecular Formula: C4H5BN2O4 Molecular Weight (g/mol): 155.90 MDL Number: MFCD01318983 InChI Key: PVEJOCQTIVCDNO-UHFFFAOYSA-N Synonym: uracil-5-boronic acid,2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl boronic acid,2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinylboronic acid,2,4-dihydroxypyrimidine-5-boronic acid,2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-ylboronic acid,2,4-dihydroxypyrimidin-5-ylboronic acid,2,4-dioxo-1h-pyrimidin-5-yl boronic acid,2,4-dioxo-1,3-dihydropyrimidin-5-ylboronic acid,t6mvmvj ebqq wln,5-dihydroxyboryluracil PubChem CID: 256205 IUPAC Name: (2,4-dioxo-1H-pyrimidin-5-yl)boronic acid SMILES: OB(O)C1=CNC(=O)NC1=O
| PubChem CID | 256205 |
|---|---|
| CAS | 70523-22-7 |
| Molecular Weight (g/mol) | 155.90 |
| MDL Number | MFCD01318983 |
| SMILES | OB(O)C1=CNC(=O)NC1=O |
| Synonym | uracil-5-boronic acid,2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl boronic acid,2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinylboronic acid,2,4-dihydroxypyrimidine-5-boronic acid,2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-ylboronic acid,2,4-dihydroxypyrimidin-5-ylboronic acid,2,4-dioxo-1h-pyrimidin-5-yl boronic acid,2,4-dioxo-1,3-dihydropyrimidin-5-ylboronic acid,t6mvmvj ebqq wln,5-dihydroxyboryluracil |
| IUPAC Name | (2,4-dioxo-1H-pyrimidin-5-yl)boronic acid |
| InChI Key | PVEJOCQTIVCDNO-UHFFFAOYSA-N |
| Molecular Formula | C4H5BN2O4 |
Tropinone, 99%
CAS: 532-24-1 Molecular Formula: C8H13NO Molecular Weight (g/mol): 139.20 MDL Number: MFCD00005549 InChI Key: QQXLDOJGLXJCSE-UHFFFAOYNA-N Synonym: tropinone,8-methyl-8-azabicyclo 3.2.1 octan-3-one,3-tropanone,tropanone,tropanon,tropinon,tropionone,3-tropinone,8-azabicyclo 3.2.1 octan-3-one, 8-methyl,1.alpha.h,5.alpha.h-tropan-3-one PubChem CID: 79038 IUPAC Name: 8-methyl-8-azabicyclo[3.2.1]octan-3-one SMILES: CN1C2CCC1CC(=O)C2
| PubChem CID | 79038 |
|---|---|
| CAS | 532-24-1 |
| Molecular Weight (g/mol) | 139.20 |
| MDL Number | MFCD00005549 |
| SMILES | CN1C2CCC1CC(=O)C2 |
| Synonym | tropinone,8-methyl-8-azabicyclo 3.2.1 octan-3-one,3-tropanone,tropanone,tropanon,tropinon,tropionone,3-tropinone,8-azabicyclo 3.2.1 octan-3-one, 8-methyl,1.alpha.h,5.alpha.h-tropan-3-one |
| IUPAC Name | 8-methyl-8-azabicyclo[3.2.1]octan-3-one |
| InChI Key | QQXLDOJGLXJCSE-UHFFFAOYNA-N |
| Molecular Formula | C8H13NO |
3,4-Di-O-acetyl-6-deoxy-L-glucal, 98%
CAS: 34819-86-8 Molecular Formula: C10H14O5 Molecular Weight (g/mol): 214.217 MDL Number: MFCD00074970 InChI Key: NDEGMKQAZZBNBB-JUWDTYFHSA-N Synonym: 3,4-di-o-acetyl-6-deoxy-l-glucal,3,4-di-o-acetyl-l-rhamnal,2s,3s,4s-2-methyl-3,4-dihydro-2h-pyran-3,4-diyl diacetate,3,4-di-o-acetyl-1,5-anhydro-2,6-dideoxy-l-arabino-hex-1-enitol,di-o-acetyl-l-rhamnal,2s,3s,4s-4-acetyloxy-2-methyl-3,4-dihydro-2h-pyran-3-yl acetate,diacetyl-l-rhamnal,l-rhamnal diacetate,6-deoxy-l-glucal diacetate,l-arabino-hex-1-enitol, 1,5-anhydro-2,6-dideoxy-, diacetate PubChem CID: 2734733 IUPAC Name: [(2S,3S,4S)-3-acetyloxy-2-methyl-3,4-dihydro-2H-pyran-4-yl] acetate SMILES: CC1C(C(C=CO1)OC(=O)C)OC(=O)C
| PubChem CID | 2734733 |
|---|---|
| CAS | 34819-86-8 |
| Molecular Weight (g/mol) | 214.217 |
| MDL Number | MFCD00074970 |
| SMILES | CC1C(C(C=CO1)OC(=O)C)OC(=O)C |
| Synonym | 3,4-di-o-acetyl-6-deoxy-l-glucal,3,4-di-o-acetyl-l-rhamnal,2s,3s,4s-2-methyl-3,4-dihydro-2h-pyran-3,4-diyl diacetate,3,4-di-o-acetyl-1,5-anhydro-2,6-dideoxy-l-arabino-hex-1-enitol,di-o-acetyl-l-rhamnal,2s,3s,4s-4-acetyloxy-2-methyl-3,4-dihydro-2h-pyran-3-yl acetate,diacetyl-l-rhamnal,l-rhamnal diacetate,6-deoxy-l-glucal diacetate,l-arabino-hex-1-enitol, 1,5-anhydro-2,6-dideoxy-, diacetate |
| IUPAC Name | [(2S,3S,4S)-3-acetyloxy-2-methyl-3,4-dihydro-2H-pyran-4-yl] acetate |
| InChI Key | NDEGMKQAZZBNBB-JUWDTYFHSA-N |
| Molecular Formula | C10H14O5 |
Imidazole, Molecular Biology Grade, 99+%, Thermo Scientific Chemicals
CAS: 288-32-4 Molecular Formula: C3H4N2 Molecular Weight (g/mol): 68.08 MDL Number: MFCD00005183 InChI Key: RAXXELZNTBOGNW-UHFFFAOYSA-N Synonym: imidazole,glyoxaline,imidazol,iminazole,miazole,1,3-diazole,glyoxalin,imutex,1,3-diaza-2,4-cyclopentadiene,pyrro b monazole PubChem CID: 795 ChEBI: CHEBI:16069 SMILES: N1C=CN=C1
| PubChem CID | 795 |
|---|---|
| CAS | 288-32-4 |
| Molecular Weight (g/mol) | 68.08 |
| ChEBI | CHEBI:16069 |
| MDL Number | MFCD00005183 |
| SMILES | N1C=CN=C1 |
| Synonym | imidazole,glyoxaline,imidazol,iminazole,miazole,1,3-diazole,glyoxalin,imutex,1,3-diaza-2,4-cyclopentadiene,pyrro b monazole |
| InChI Key | RAXXELZNTBOGNW-UHFFFAOYSA-N |
| Molecular Formula | C3H4N2 |
N-Fluoropyridinium trifluoromethanesulfonate, 95%
CAS: 107263-95-6 Molecular Formula: C6H5F4NO3S Molecular Weight (g/mol): 247.164 MDL Number: MFCD00013458 InChI Key: JFZMMCYRTJBQQI-UHFFFAOYSA-M Synonym: 1-fluoropyridinium triflate,n-fluoropyridinium triflate,n-fluoropyridinium trifluoromethanesulfonate,1-fluoropyridinium trifluoromethanesulfonate,1-fluoropyridin-1-ium; trifluoromethanesulfonate,acmc-209shu,ksc182s3j,1-fluoropyridin-1-ium triflate,1-fluoropyridiniumtriflate PubChem CID: 2724576 IUPAC Name: 1-fluoropyridin-1-ium;trifluoromethanesulfonate SMILES: C1=CC=[N+](C=C1)F.C(F)(F)(F)S(=O)(=O)[O-]
| PubChem CID | 2724576 |
|---|---|
| CAS | 107263-95-6 |
| Molecular Weight (g/mol) | 247.164 |
| MDL Number | MFCD00013458 |
| SMILES | C1=CC=[N+](C=C1)F.C(F)(F)(F)S(=O)(=O)[O-] |
| Synonym | 1-fluoropyridinium triflate,n-fluoropyridinium triflate,n-fluoropyridinium trifluoromethanesulfonate,1-fluoropyridinium trifluoromethanesulfonate,1-fluoropyridin-1-ium; trifluoromethanesulfonate,acmc-209shu,ksc182s3j,1-fluoropyridin-1-ium triflate,1-fluoropyridiniumtriflate |
| IUPAC Name | 1-fluoropyridin-1-ium;trifluoromethanesulfonate |
| InChI Key | JFZMMCYRTJBQQI-UHFFFAOYSA-M |
| Molecular Formula | C6H5F4NO3S |
3-Thiopheneethanol, 98%, Thermo Scientific Chemicals
CAS: 13781-67-4 Molecular Formula: C6H8OS Molecular Weight (g/mol): 128.19 MDL Number: MFCD00009766 InChI Key: YYPNNBPPDFTQFX-UHFFFAOYSA-N Synonym: 2-thiophen-3-yl ethanol,3-thiopheneethanol,2-3-thienyl ethanol,thiophene-3-ethanol,3-2-hydroxyethyl thiophene,2-thiophen-3-yl ethan-1-ol,2-thien-3-yl ethan-1-ol,3-thiophene-ethanol,pubchem20415 PubChem CID: 83731 IUPAC Name: 2-thiophen-3-ylethanol SMILES: OCCC1=CSC=C1
| PubChem CID | 83731 |
|---|---|
| CAS | 13781-67-4 |
| Molecular Weight (g/mol) | 128.19 |
| MDL Number | MFCD00009766 |
| SMILES | OCCC1=CSC=C1 |
| Synonym | 2-thiophen-3-yl ethanol,3-thiopheneethanol,2-3-thienyl ethanol,thiophene-3-ethanol,3-2-hydroxyethyl thiophene,2-thiophen-3-yl ethan-1-ol,2-thien-3-yl ethan-1-ol,3-thiophene-ethanol,pubchem20415 |
| IUPAC Name | 2-thiophen-3-ylethanol |
| InChI Key | YYPNNBPPDFTQFX-UHFFFAOYSA-N |
| Molecular Formula | C6H8OS |
2-Bromo-6-fluoro-4-methylpyridine, 98%
CAS: 180608-37-1 Molecular Formula: C6H5BrFN Molecular Weight (g/mol): 190.015 MDL Number: MFCD09839269 InChI Key: CIDWWTCSJWQJQR-UHFFFAOYSA-N PubChem CID: 29919366 IUPAC Name: 2-bromo-6-fluoro-4-methylpyridine SMILES: CC1=CC(=NC(=C1)Br)F
| PubChem CID | 29919366 |
|---|---|
| CAS | 180608-37-1 |
| Molecular Weight (g/mol) | 190.015 |
| MDL Number | MFCD09839269 |
| SMILES | CC1=CC(=NC(=C1)Br)F |
| IUPAC Name | 2-bromo-6-fluoro-4-methylpyridine |
| InChI Key | CIDWWTCSJWQJQR-UHFFFAOYSA-N |
| Molecular Formula | C6H5BrFN |
beta-Naphthoflavone, 98+%
CAS: 6051-87-2 Molecular Formula: C19H12O2 Molecular Weight (g/mol): 272.303 MDL Number: MFCD00004986 InChI Key: OUGIDAPQYNCXRA-UHFFFAOYSA-N Synonym: beta-naphthoflavone,5,6-benzoflavone,beta-nf,3-phenyl-1h-naphtho 2,1-b pyran-1-one,3-phenyl-1h-benzo f chromen-1-one,1h-naphtho 2,1-b pyran-1-one, 3-phenyl,unii-1bt0256y8o,3-phenylbenzo f chromen-1-one,ccris 3262,.beta.-naphthoflavone PubChem CID: 2361 ChEBI: CHEBI:77013 IUPAC Name: 3-phenylbenzo[f]chromen-1-one SMILES: C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=CC4=CC=CC=C43
| PubChem CID | 2361 |
|---|---|
| CAS | 6051-87-2 |
| Molecular Weight (g/mol) | 272.303 |
| ChEBI | CHEBI:77013 |
| MDL Number | MFCD00004986 |
| SMILES | C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=CC4=CC=CC=C43 |
| Synonym | beta-naphthoflavone,5,6-benzoflavone,beta-nf,3-phenyl-1h-naphtho 2,1-b pyran-1-one,3-phenyl-1h-benzo f chromen-1-one,1h-naphtho 2,1-b pyran-1-one, 3-phenyl,unii-1bt0256y8o,3-phenylbenzo f chromen-1-one,ccris 3262,.beta.-naphthoflavone |
| IUPAC Name | 3-phenylbenzo[f]chromen-1-one |
| InChI Key | OUGIDAPQYNCXRA-UHFFFAOYSA-N |
| Molecular Formula | C19H12O2 |
2-(2-Pyridyl)benzimidazole, 98+%
CAS: 1137-68-4 Molecular Formula: C12H9N3 Molecular Weight (g/mol): 195.23 MDL Number: MFCD00005586 InChI Key: YNFBMDWHEHETJW-UHFFFAOYSA-N Synonym: 2-2-pyridyl benzimidazole,2-pyridin-2-yl-1h-benzo d imidazole,2-pyridin-2-yl-1h-benzoimidazole,2-pyridin-2-yl-1h-1,3-benzodiazole,2-pyridin-2-yl-1h-benzimidazole,chembl72683,1h-benzimidazole, 2-pyridinyl,1h-benzimidazole, 2-2-pyridinyl,acmc-20aime,2 2-pyridyl benzimidazole PubChem CID: 70821 IUPAC Name: 2-pyridin-2-yl-1H-benzimidazole SMILES: N1C2=CC=CC=C2N=C1C1=CC=CC=N1
| PubChem CID | 70821 |
|---|---|
| CAS | 1137-68-4 |
| Molecular Weight (g/mol) | 195.23 |
| MDL Number | MFCD00005586 |
| SMILES | N1C2=CC=CC=C2N=C1C1=CC=CC=N1 |
| Synonym | 2-2-pyridyl benzimidazole,2-pyridin-2-yl-1h-benzo d imidazole,2-pyridin-2-yl-1h-benzoimidazole,2-pyridin-2-yl-1h-1,3-benzodiazole,2-pyridin-2-yl-1h-benzimidazole,chembl72683,1h-benzimidazole, 2-pyridinyl,1h-benzimidazole, 2-2-pyridinyl,acmc-20aime,2 2-pyridyl benzimidazole |
| IUPAC Name | 2-pyridin-2-yl-1H-benzimidazole |
| InChI Key | YNFBMDWHEHETJW-UHFFFAOYSA-N |
| Molecular Formula | C12H9N3 |
4'-Chloro-2,2':6',2″-terpyridine, 98%
CAS: 128143-89-5 Molecular Formula: C15H10ClN3 Molecular Weight (g/mol): 267.72 MDL Number: MFCD00191930 InChI Key: AHEMFMCEBIJRMU-UHFFFAOYSA-N Synonym: 4'-chloro-2,2':6',2-terpyridine,4'-chloro-2,2':6',2'-terpyridine,4'-chloro-2,2',6',2-terpyridine,4-chloro-2,6-bis pyridin-2-yl pyridine,4-chloro-2,6-di 2-pyridyl pyridine,4-chloro-6-pyridin-2-yl-2,2'-bipyridine,zlchem 975,acmc-1cg8d,4'-chloro-2,2'6'2-terpyridine,4-chloro-2,6-bis 2-pyridyl pyridine PubChem CID: 667748 SMILES: ClC1=CC(=NC(=C1)C1=CC=CC=N1)C1=CC=CC=N1
| PubChem CID | 667748 |
|---|---|
| CAS | 128143-89-5 |
| Molecular Weight (g/mol) | 267.72 |
| MDL Number | MFCD00191930 |
| SMILES | ClC1=CC(=NC(=C1)C1=CC=CC=N1)C1=CC=CC=N1 |
| Synonym | 4'-chloro-2,2':6',2-terpyridine,4'-chloro-2,2':6',2'-terpyridine,4'-chloro-2,2',6',2-terpyridine,4-chloro-2,6-bis pyridin-2-yl pyridine,4-chloro-2,6-di 2-pyridyl pyridine,4-chloro-6-pyridin-2-yl-2,2'-bipyridine,zlchem 975,acmc-1cg8d,4'-chloro-2,2'6'2-terpyridine,4-chloro-2,6-bis 2-pyridyl pyridine |
| InChI Key | AHEMFMCEBIJRMU-UHFFFAOYSA-N |
| Molecular Formula | C15H10ClN3 |
4-Amino-2-chloro-5-nitropyrimidine, 97%, Thermo Scientific Chemicals
CAS: 1920-66-7 Molecular Formula: C4H3ClN4O2 Molecular Weight (g/mol): 174.54 MDL Number: MFCD00127771 InChI Key: RZGOEIWDMVQJBQ-UHFFFAOYSA-N PubChem CID: 74716 IUPAC Name: 2-chloro-5-nitropyrimidin-4-amine SMILES: NC1=NC(Cl)=NC=C1[N+]([O-])=O
| PubChem CID | 74716 |
|---|---|
| CAS | 1920-66-7 |
| Molecular Weight (g/mol) | 174.54 |
| MDL Number | MFCD00127771 |
| SMILES | NC1=NC(Cl)=NC=C1[N+]([O-])=O |
| IUPAC Name | 2-chloro-5-nitropyrimidin-4-amine |
| InChI Key | RZGOEIWDMVQJBQ-UHFFFAOYSA-N |
| Molecular Formula | C4H3ClN4O2 |
4-Methyl-2-phenyl-5-pyrimidinecarboxylic acid, 97%, Thermo Scientific™
CAS: 103249-79-2 Molecular Formula: C12H10N2O2 Molecular Weight (g/mol): 214.224 InChI Key: ZPXPNKCBUXSJFK-UHFFFAOYSA-N Synonym: 4-methyl-2-phenyl-5-pyrimidinecarboxylic acid,5-pyrimidinecarboxylicacid, 4-methyl-2-phenyl,acmc-1c8q0,2-phenyl-4-methylpyrimidine-5-carboxylic acid,5-pyrimidinecarboxylicacid,4-methyl-2-phenyl,4-methyl-2-phenyl-pyrimidine-5-carboxylic acid,5-pyrimidinecarboxylic acid, 4-methyl-2-phenyl PubChem CID: 239975 IUPAC Name: 4-methyl-2-phenylpyrimidine-5-carboxylic acid SMILES: CC1=NC(=NC=C1C(=O)O)C2=CC=CC=C2
| PubChem CID | 239975 |
|---|---|
| CAS | 103249-79-2 |
| Molecular Weight (g/mol) | 214.224 |
| SMILES | CC1=NC(=NC=C1C(=O)O)C2=CC=CC=C2 |
| Synonym | 4-methyl-2-phenyl-5-pyrimidinecarboxylic acid,5-pyrimidinecarboxylicacid, 4-methyl-2-phenyl,acmc-1c8q0,2-phenyl-4-methylpyrimidine-5-carboxylic acid,5-pyrimidinecarboxylicacid,4-methyl-2-phenyl,4-methyl-2-phenyl-pyrimidine-5-carboxylic acid,5-pyrimidinecarboxylic acid, 4-methyl-2-phenyl |
| IUPAC Name | 4-methyl-2-phenylpyrimidine-5-carboxylic acid |
| InChI Key | ZPXPNKCBUXSJFK-UHFFFAOYSA-N |
| Molecular Formula | C12H10N2O2 |
3H-1,2-Benzodithiol-one 1,1-dioxide, 98%
CAS: 66304-01-6 Molecular Formula: C7H4O3S2 Molecular Weight (g/mol): 200.226 MDL Number: MFCD00132960 InChI Key: JUDOLRSMWHVKGX-UHFFFAOYSA-N PubChem CID: 3009847 IUPAC Name: 1,1-dioxo-1$l^{6},2-benzodithiol-3-one SMILES: C1=CC=C2C(=C1)C(=O)SS2(=O)=O
| PubChem CID | 3009847 |
|---|---|
| CAS | 66304-01-6 |
| Molecular Weight (g/mol) | 200.226 |
| MDL Number | MFCD00132960 |
| SMILES | C1=CC=C2C(=C1)C(=O)SS2(=O)=O |
| IUPAC Name | 1,1-dioxo-1$l^{6},2-benzodithiol-3-one |
| InChI Key | JUDOLRSMWHVKGX-UHFFFAOYSA-N |
| Molecular Formula | C7H4O3S2 |
1-Benzyl-2-(methylsulfanyl)-1H-imidazole-5-carbonylchloride hydrochloride, ≥97%, Thermo Scientific™
CAS: 568577-86-6 Molecular Formula: C12H12Cl2N2OS Molecular Weight (g/mol): 303.201 MDL Number: MFCD04974045 InChI Key: AUZZRVMDIAHPNZ-UHFFFAOYSA-N Synonym: 1-benzyl-2-methylsulfanyl-1h-imidazole-5-carbonyl chloride hydrochloride,3-benzyl-2-methylsulfanyl imidazole-4-carbonyl chloride hydrochloride,3-benzyl-2-methylsulfanylimidazole-4-carbonyl chloride hydrochloride,1-benzyl-2-methylthio-1h-imidazole-5-carbonyl chloride hydrochloride PubChem CID: 2795486 IUPAC Name: 3-benzyl-2-methylsulfanylimidazole-4-carbonyl chloride;hydrochloride SMILES: CSC1=NC=C(N1CC2=CC=CC=C2)C(=O)Cl.Cl
| PubChem CID | 2795486 |
|---|---|
| CAS | 568577-86-6 |
| Molecular Weight (g/mol) | 303.201 |
| MDL Number | MFCD04974045 |
| SMILES | CSC1=NC=C(N1CC2=CC=CC=C2)C(=O)Cl.Cl |
| Synonym | 1-benzyl-2-methylsulfanyl-1h-imidazole-5-carbonyl chloride hydrochloride,3-benzyl-2-methylsulfanyl imidazole-4-carbonyl chloride hydrochloride,3-benzyl-2-methylsulfanylimidazole-4-carbonyl chloride hydrochloride,1-benzyl-2-methylthio-1h-imidazole-5-carbonyl chloride hydrochloride |
| IUPAC Name | 3-benzyl-2-methylsulfanylimidazole-4-carbonyl chloride;hydrochloride |
| InChI Key | AUZZRVMDIAHPNZ-UHFFFAOYSA-N |
| Molecular Formula | C12H12Cl2N2OS |