Organoheterocyclic compounds
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(-)-trans-1,2-Cyclohexanedicarboxylic Anhydride 98.0+%, TCI America™
CAS: 31982-85-1 Molecular Formula: C8H10O3 Molecular Weight (g/mol): 154.165 MDL Number: MFCD00674195 InChI Key: MUTGBJKUEZFXGO-WDSKDSINSA-N PubChem CID: 12261141 IUPAC Name: (3aS,7aS)-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione SMILES: C1CCC2C(C1)C(=O)OC2=O
| PubChem CID | 12261141 |
|---|---|
| CAS | 31982-85-1 |
| Molecular Weight (g/mol) | 154.165 |
| MDL Number | MFCD00674195 |
| SMILES | C1CCC2C(C1)C(=O)OC2=O |
| IUPAC Name | (3aS,7aS)-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione |
| InChI Key | MUTGBJKUEZFXGO-WDSKDSINSA-N |
| Molecular Formula | C8H10O3 |
1,2-Bis(maleimido)ethane 98.0+%, TCI America™
CAS: 5132-30-9 Molecular Formula: C10H8N2O4 Molecular Weight (g/mol): 220.184 MDL Number: MFCD00458699 InChI Key: PUKLCKVOVCZYKF-UHFFFAOYSA-N Synonym: N,N′C-Ethylenebismaleimide, N,N′C-Ethylenedimaleimide, 1,2-Di(maleimido)ethane PubChem CID: 237509 IUPAC Name: 1-[2-(2,5-dioxopyrrol-1-yl)ethyl]pyrrole-2,5-dione SMILES: C1=CC(=O)N(C1=O)CCN2C(=O)C=CC2=O
| PubChem CID | 237509 |
|---|---|
| CAS | 5132-30-9 |
| Molecular Weight (g/mol) | 220.184 |
| MDL Number | MFCD00458699 |
| SMILES | C1=CC(=O)N(C1=O)CCN2C(=O)C=CC2=O |
| Synonym | N,N′C-Ethylenebismaleimide, N,N′C-Ethylenedimaleimide, 1,2-Di(maleimido)ethane |
| IUPAC Name | 1-[2-(2,5-dioxopyrrol-1-yl)ethyl]pyrrole-2,5-dione |
| InChI Key | PUKLCKVOVCZYKF-UHFFFAOYSA-N |
| Molecular Formula | C10H8N2O4 |
1-Ethyl-3-methylimidazolium Bis(trifluoromethanesulfonyl)imide 98.0+%, TCI America™
CAS: 174899-82-2 Molecular Formula: C8H11F6N3O4S2 Molecular Weight (g/mol): 391.303 MDL Number: MFCD03788927 InChI Key: LRESCJAINPKJTO-UHFFFAOYSA-N PubChem CID: 11731903 IUPAC Name: bis(trifluoromethylsulfonyl)azanide;1-ethyl-3-methylimidazol-3-ium SMILES: CCN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
| PubChem CID | 11731903 |
|---|---|
| CAS | 174899-82-2 |
| Molecular Weight (g/mol) | 391.303 |
| MDL Number | MFCD03788927 |
| SMILES | CCN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F |
| IUPAC Name | bis(trifluoromethylsulfonyl)azanide;1-ethyl-3-methylimidazol-3-ium |
| InChI Key | LRESCJAINPKJTO-UHFFFAOYSA-N |
| Molecular Formula | C8H11F6N3O4S2 |
Bis(2-methyl-3-furyl) Disulfide 98.0+%, TCI America™
CAS: 28588-75-2 Molecular Formula: C10H10O2S2 Molecular Weight (g/mol): 226.308 MDL Number: MFCD01074774 InChI Key: OHDFENKFSKIFBJ-UHFFFAOYSA-N Synonym: bis 2-methyl-3-furyl disulfide,1,2-bis 2-methylfuran-3-yl disulfane,3,3'-dithiobis 2-methylfuran,2-methyl-3-furyl disulfide,unii-e1an38v6ma,3,3'-dithio-2,2'-dimethyldifuran,fema no. 3259,furan, 3,3'-dithiobis 2-methyl PubChem CID: 526624 IUPAC Name: 2-methyl-3-[(2-methylfuran-3-yl)disulfanyl]furan SMILES: CC1=C(C=CO1)SSC2=C(OC=C2)C
| PubChem CID | 526624 |
|---|---|
| CAS | 28588-75-2 |
| Molecular Weight (g/mol) | 226.308 |
| MDL Number | MFCD01074774 |
| SMILES | CC1=C(C=CO1)SSC2=C(OC=C2)C |
| Synonym | bis 2-methyl-3-furyl disulfide,1,2-bis 2-methylfuran-3-yl disulfane,3,3'-dithiobis 2-methylfuran,2-methyl-3-furyl disulfide,unii-e1an38v6ma,3,3'-dithio-2,2'-dimethyldifuran,fema no. 3259,furan, 3,3'-dithiobis 2-methyl |
| IUPAC Name | 2-methyl-3-[(2-methylfuran-3-yl)disulfanyl]furan |
| InChI Key | OHDFENKFSKIFBJ-UHFFFAOYSA-N |
| Molecular Formula | C10H10O2S2 |
5-Methylisoxazole 95.0+%, TCI America™
CAS: 5765-44-6 Molecular Formula: C4H5NO Molecular Weight (g/mol): 83.09 MDL Number: MFCD00003152 InChI Key: AGQOIYCTCOEHGR-UHFFFAOYSA-N Synonym: 5-methylisoxazole,isoxazole, 5-methyl,unii-yc2p4ibf1e,yc2p4ibf1e,5-methyl isoxazole,5-methylisoxazol,5-methyl-isoxazole,pubchem8634,acmc-1arbg PubChem CID: 79833 IUPAC Name: 5-methyl-1,2-oxazole SMILES: CC1=CC=NO1
| PubChem CID | 79833 |
|---|---|
| CAS | 5765-44-6 |
| Molecular Weight (g/mol) | 83.09 |
| MDL Number | MFCD00003152 |
| SMILES | CC1=CC=NO1 |
| Synonym | 5-methylisoxazole,isoxazole, 5-methyl,unii-yc2p4ibf1e,yc2p4ibf1e,5-methyl isoxazole,5-methylisoxazol,5-methyl-isoxazole,pubchem8634,acmc-1arbg |
| IUPAC Name | 5-methyl-1,2-oxazole |
| InChI Key | AGQOIYCTCOEHGR-UHFFFAOYSA-N |
| Molecular Formula | C4H5NO |
Benzo[b]thiophene 97.0+%, TCI America™
CAS: 95-15-8 Molecular Formula: C8H6S Molecular Weight (g/mol): 134.196 MDL Number: MFCD00005864 InChI Key: FCEHBMOGCRZNNI-UHFFFAOYSA-N Synonym: benzo b thiophene,thianaphthene,benzothiophene,benzothiofuran,thionaphthene,1-thiaindene,thianaphthen,benzothiophen,thianaphtene,1-benzothiophen PubChem CID: 7221 ChEBI: CHEBI:35858 IUPAC Name: 1-benzothiophene SMILES: C1=CC=C2C(=C1)C=CS2
| PubChem CID | 7221 |
|---|---|
| CAS | 95-15-8 |
| Molecular Weight (g/mol) | 134.196 |
| ChEBI | CHEBI:35858 |
| MDL Number | MFCD00005864 |
| SMILES | C1=CC=C2C(=C1)C=CS2 |
| Synonym | benzo b thiophene,thianaphthene,benzothiophene,benzothiofuran,thionaphthene,1-thiaindene,thianaphthen,benzothiophen,thianaphtene,1-benzothiophen |
| IUPAC Name | 1-benzothiophene |
| InChI Key | FCEHBMOGCRZNNI-UHFFFAOYSA-N |
| Molecular Formula | C8H6S |
2-(4-Bromophenyl)imidazo[1,2-a]pyridine 98.0+%, TCI America™
CAS: 34658-66-7 Molecular Formula: C13H9BrN2 Molecular Weight (g/mol): 273.13 MDL Number: MFCD00218250 InChI Key: GRZUOGFRIHABDK-UHFFFAOYSA-N Synonym: 2-4-bromophenyl imidazo 1,2-a pyridine,2-4-bromo-phenyl-imidazo 1,2-a pyridine,2-4-bromophenyl h-imidazo 1,2-a pyridine,acmc-1aihf,2-4-bromophenyl-imidazo 1,2-a pyridine,2-4-bromophenyl imidazo 1,2-? pyridine,2-4-bromophenyl imidazo 1,2-a pyridine #,imidazo 1,2-a pyridine,2-4-bromophenyl,imidazol 1,2-a pyridine, 2-4-bromophenyl PubChem CID: 623416 IUPAC Name: 2-(4-bromophenyl)imidazo[1,2-a]pyridine SMILES: BrC1=CC=C(C=C1)C1=CN2C=CC=CC2=N1
| PubChem CID | 623416 |
|---|---|
| CAS | 34658-66-7 |
| Molecular Weight (g/mol) | 273.13 |
| MDL Number | MFCD00218250 |
| SMILES | BrC1=CC=C(C=C1)C1=CN2C=CC=CC2=N1 |
| Synonym | 2-4-bromophenyl imidazo 1,2-a pyridine,2-4-bromo-phenyl-imidazo 1,2-a pyridine,2-4-bromophenyl h-imidazo 1,2-a pyridine,acmc-1aihf,2-4-bromophenyl-imidazo 1,2-a pyridine,2-4-bromophenyl imidazo 1,2-? pyridine,2-4-bromophenyl imidazo 1,2-a pyridine #,imidazo 1,2-a pyridine,2-4-bromophenyl,imidazol 1,2-a pyridine, 2-4-bromophenyl |
| IUPAC Name | 2-(4-bromophenyl)imidazo[1,2-a]pyridine |
| InChI Key | GRZUOGFRIHABDK-UHFFFAOYSA-N |
| Molecular Formula | C13H9BrN2 |
1-Benzyl-4-cyano-4-phenylpiperidine Hydrochloride 98.0+%, TCI America™
CAS: 71258-18-9 Molecular Formula: C19H21ClN2 Molecular Weight (g/mol): 312.841 MDL Number: MFCD00035361 InChI Key: SPXFNRMZPRHYRH-UHFFFAOYSA-N Synonym: 1-benzyl-4-cyano-4-phenylpiperidine hydrochloride,1-benzyl-4-phenylpiperidine-4-carbonitrile hydrochloride,1-benzyl-4-cyano-4-phenylpiperidine hcl,1-n-benzyl-4-cyano-4-phenylpiperidine hydrochloride,n-benzyl-4-cyano-4-phenylpiperidine hydrochloride,4-phenyl-1-benzylpiperidine-4-carbonitrile, chloride,4-phenyl-1-phenylmethyl-4-piperidinecarbonitrile hydrochloride,pubchem13098,acmc-1bfv8,c19h20n2.clh PubChem CID: 12652062 IUPAC Name: 1-benzyl-4-phenylpiperidine-4-carbonitrile;hydrochloride SMILES: C1CN(CCC1(C#N)C2=CC=CC=C2)CC3=CC=CC=C3.Cl
| PubChem CID | 12652062 |
|---|---|
| CAS | 71258-18-9 |
| Molecular Weight (g/mol) | 312.841 |
| MDL Number | MFCD00035361 |
| SMILES | C1CN(CCC1(C#N)C2=CC=CC=C2)CC3=CC=CC=C3.Cl |
| Synonym | 1-benzyl-4-cyano-4-phenylpiperidine hydrochloride,1-benzyl-4-phenylpiperidine-4-carbonitrile hydrochloride,1-benzyl-4-cyano-4-phenylpiperidine hcl,1-n-benzyl-4-cyano-4-phenylpiperidine hydrochloride,n-benzyl-4-cyano-4-phenylpiperidine hydrochloride,4-phenyl-1-benzylpiperidine-4-carbonitrile, chloride,4-phenyl-1-phenylmethyl-4-piperidinecarbonitrile hydrochloride,pubchem13098,acmc-1bfv8,c19h20n2.clh |
| IUPAC Name | 1-benzyl-4-phenylpiperidine-4-carbonitrile;hydrochloride |
| InChI Key | SPXFNRMZPRHYRH-UHFFFAOYSA-N |
| Molecular Formula | C19H21ClN2 |
1,4-Bis[(1H-imidazol-1-yl)methyl]benzene 98.0+%, TCI America™
CAS: 56643-83-5 Molecular Formula: C14H14N4 Molecular Weight (g/mol): 238.29 MDL Number: MFCD06598031 InChI Key: NKUFFYFOBGGDTP-UHFFFAOYSA-N PubChem CID: 1257389 IUPAC Name: 1-({4-[(1H-imidazol-1-yl)methyl]phenyl}methyl)-1H-imidazole SMILES: C(N1C=CN=C1)C1=CC=C(CN2C=CN=C2)C=C1
| PubChem CID | 1257389 |
|---|---|
| CAS | 56643-83-5 |
| Molecular Weight (g/mol) | 238.29 |
| MDL Number | MFCD06598031 |
| SMILES | C(N1C=CN=C1)C1=CC=C(CN2C=CN=C2)C=C1 |
| IUPAC Name | 1-({4-[(1H-imidazol-1-yl)methyl]phenyl}methyl)-1H-imidazole |
| InChI Key | NKUFFYFOBGGDTP-UHFFFAOYSA-N |
| Molecular Formula | C14H14N4 |
tert-Butyl 4-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate 98.0+%, TCI America™
CAS: 877399-74-1 Molecular Formula: C19H32BN3O4 Molecular Weight (g/mol): 377.292 MDL Number: MFCD11112131 InChI Key: QSQWENQPOSRWLP-UHFFFAOYSA-N Synonym: 4-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylic Acid tert-Butyl Ester, 2-[1-(1-Boc-piperidin-4-yl)pyrazol-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, 1-(1-Boc-piperidin-4-yl)pyrazole-4-boronic Acid Pinacol Ester PubChem CID: 45480279 IUPAC Name: tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)C3CCN(CC3)C(=O)OC(C)(C)C
| PubChem CID | 45480279 |
|---|---|
| CAS | 877399-74-1 |
| Molecular Weight (g/mol) | 377.292 |
| MDL Number | MFCD11112131 |
| SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)C3CCN(CC3)C(=O)OC(C)(C)C |
| Synonym | 4-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylic Acid tert-Butyl Ester, 2-[1-(1-Boc-piperidin-4-yl)pyrazol-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, 1-(1-Boc-piperidin-4-yl)pyrazole-4-boronic Acid Pinacol Ester |
| IUPAC Name | tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate |
| InChI Key | QSQWENQPOSRWLP-UHFFFAOYSA-N |
| Molecular Formula | C19H32BN3O4 |
2-Pentylfuran 98.0+%, TCI America™
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 |
1H-1,2,3-Triazolo[4,5-b]pyridine 98.0+%, TCI America™
CAS: 273-34-7 Molecular Formula: C5H4N4 Molecular Weight (g/mol): 120.12 MDL Number: MFCD00134183 InChI Key: VQNDBXJTIJKJPV-UHFFFAOYSA-N Synonym: 4-Azabenzotriazole PubChem CID: 136085 IUPAC Name: 2H-[1,2,3]triazolo[4,5-b]pyridine SMILES: N1N=C2C=CC=NC2=N1
| PubChem CID | 136085 |
|---|---|
| CAS | 273-34-7 |
| Molecular Weight (g/mol) | 120.12 |
| MDL Number | MFCD00134183 |
| SMILES | N1N=C2C=CC=NC2=N1 |
| Synonym | 4-Azabenzotriazole |
| IUPAC Name | 2H-[1,2,3]triazolo[4,5-b]pyridine |
| InChI Key | VQNDBXJTIJKJPV-UHFFFAOYSA-N |
| Molecular Formula | C5H4N4 |
4,5,6,7-Tetrabromobenzotriazole 97.0+%, TCI America™
CAS: 17374-26-4 Molecular Formula: C6HBr4N3 Molecular Weight (g/mol): 434.711 MDL Number: MFCD06411399 InChI Key: OMZYUVOATZSGJY-UHFFFAOYSA-N Synonym: 4,5,6,7-tetrabromobenzotriazole,tbb,tbbt,4,5,6,7-tetrabromo-1h-benzotriazole,4,5,6,7-tetrabromo-2-azabenzimidazole,ck2 inhibitor,casein kinase ii inhibitor i,4,5,6,7-tetrabromo-1h-benzo d 1,2,3 triazole,tetrabromo-2-benzotriazole,4,5,6,7-tetrabromo-1h-1,2,3-benzotriazole PubChem CID: 1694 IUPAC Name: 4,5,6,7-tetrabromo-2H-benzotriazole SMILES: C1(=C(C2=NNN=C2C(=C1Br)Br)Br)Br
| PubChem CID | 1694 |
|---|---|
| CAS | 17374-26-4 |
| Molecular Weight (g/mol) | 434.711 |
| MDL Number | MFCD06411399 |
| SMILES | C1(=C(C2=NNN=C2C(=C1Br)Br)Br)Br |
| Synonym | 4,5,6,7-tetrabromobenzotriazole,tbb,tbbt,4,5,6,7-tetrabromo-1h-benzotriazole,4,5,6,7-tetrabromo-2-azabenzimidazole,ck2 inhibitor,casein kinase ii inhibitor i,4,5,6,7-tetrabromo-1h-benzo d 1,2,3 triazole,tetrabromo-2-benzotriazole,4,5,6,7-tetrabromo-1h-1,2,3-benzotriazole |
| IUPAC Name | 4,5,6,7-tetrabromo-2H-benzotriazole |
| InChI Key | OMZYUVOATZSGJY-UHFFFAOYSA-N |
| Molecular Formula | C6HBr4N3 |
8-Azahypoxanthine 98.0+%, TCI America™
CAS: 2683-90-1 Molecular Formula: C4H3N5O Molecular Weight (g/mol): 137.10 MDL Number: MFCD00005804 InChI Key: OEEYCNOOAHGFHL-UHFFFAOYSA-N Synonym: 8-azahypoxanthine,azahypoxanthine,3h-1,2,3 triazolo 4,5-d pyrimidin-7-ol,7-hydroxy-1,2,3,4,6-pentaazaindene,7h-1,2,3-triazolo 4,5-d pyrimidin-7-one, 1,4-dihydro,7-hydroxy-v-triazolo d pyrimidine,1h-1,2,3-triazolo 4,5-d pyrimidin-7-ol,v-triazolo 4,5-d pyrimidin-7-ol,7-hydroxy-3h-1,2,3 triazolo 4,5-d pyrimidine PubChem CID: 75895 IUPAC Name: 2H,3H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one SMILES: O=C1N=CN=C2NNN=C12
| PubChem CID | 75895 |
|---|---|
| CAS | 2683-90-1 |
| Molecular Weight (g/mol) | 137.10 |
| MDL Number | MFCD00005804 |
| SMILES | O=C1N=CN=C2NNN=C12 |
| Synonym | 8-azahypoxanthine,azahypoxanthine,3h-1,2,3 triazolo 4,5-d pyrimidin-7-ol,7-hydroxy-1,2,3,4,6-pentaazaindene,7h-1,2,3-triazolo 4,5-d pyrimidin-7-one, 1,4-dihydro,7-hydroxy-v-triazolo d pyrimidine,1h-1,2,3-triazolo 4,5-d pyrimidin-7-ol,v-triazolo 4,5-d pyrimidin-7-ol,7-hydroxy-3h-1,2,3 triazolo 4,5-d pyrimidine |
| IUPAC Name | 2H,3H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one |
| InChI Key | OEEYCNOOAHGFHL-UHFFFAOYSA-N |
| Molecular Formula | C4H3N5O |
1-Aminobenzotriazole 98.0+%, TCI America™
CAS: 1614-12-6 Molecular Formula: C6H6N4 Molecular Weight (g/mol): 134.142 MDL Number: MFCD00132902 InChI Key: JCXKHYLLVKZPKE-UHFFFAOYSA-N Synonym: 1-aminobenzotriazole,1h-benzotriazol-1-amine,1h-benzo d 1,2,3 triazol-1-amine,1-benzotriazolamine,1-abtz,1h-1,2,3-benzotriazol-1-amine,1h-1,2,3-benzotriazol-1-ylamine,1,2,3-benzotriazol-1-amine,benzotriazolylamine,1-benzotriazolylamine PubChem CID: 1367 IUPAC Name: benzotriazol-1-amine SMILES: C1=CC=C2C(=C1)N=NN2N
| PubChem CID | 1367 |
|---|---|
| CAS | 1614-12-6 |
| Molecular Weight (g/mol) | 134.142 |
| MDL Number | MFCD00132902 |
| SMILES | C1=CC=C2C(=C1)N=NN2N |
| Synonym | 1-aminobenzotriazole,1h-benzotriazol-1-amine,1h-benzo d 1,2,3 triazol-1-amine,1-benzotriazolamine,1-abtz,1h-1,2,3-benzotriazol-1-amine,1h-1,2,3-benzotriazol-1-ylamine,1,2,3-benzotriazol-1-amine,benzotriazolylamine,1-benzotriazolylamine |
| IUPAC Name | benzotriazol-1-amine |
| InChI Key | JCXKHYLLVKZPKE-UHFFFAOYSA-N |
| Molecular Formula | C6H6N4 |