Organoheterocyclic compounds
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3-Methoxy-2(1H)-pyridone, 97%
CAS: 20928-63-6 Molecular Formula: C6H7NO2 Molecular Weight (g/mol): 125.13 MDL Number: MFCD00006015 InChI Key: LKIMDXQLHFCXQF-UHFFFAOYSA-N Synonym: 3-methoxypyridin-2-ol,2-hydroxy-3-methoxypyridine,3-methoxy-2 1h-pyridone,2 1h-pyridinone, 3-methoxy,3-methoxypyridin-2 1h-one,3-methoxypyridin-2-one,3-methoxy-2-pyridone,2-pyridinol, 3-methoxy,3-methoxy-2-hydroxypyridine,methyloxypyridon PubChem CID: 88731 IUPAC Name: 3-methoxy-1H-pyridin-2-one SMILES: COC1=CC=CNC1=O
| PubChem CID | 88731 |
|---|---|
| CAS | 20928-63-6 |
| Molecular Weight (g/mol) | 125.13 |
| MDL Number | MFCD00006015 |
| SMILES | COC1=CC=CNC1=O |
| Synonym | 3-methoxypyridin-2-ol,2-hydroxy-3-methoxypyridine,3-methoxy-2 1h-pyridone,2 1h-pyridinone, 3-methoxy,3-methoxypyridin-2 1h-one,3-methoxypyridin-2-one,3-methoxy-2-pyridone,2-pyridinol, 3-methoxy,3-methoxy-2-hydroxypyridine,methyloxypyridon |
| IUPAC Name | 3-methoxy-1H-pyridin-2-one |
| InChI Key | LKIMDXQLHFCXQF-UHFFFAOYSA-N |
| Molecular Formula | C6H7NO2 |
2-Acetylbutyrolactone, 99+%
CAS: 517-23-7 Molecular Formula: C6H8O3 Molecular Weight (g/mol): 128.13 MDL Number: MFCD00005394 InChI Key: OMQHDIHZSDEIFH-UHFFFAOYNA-N Synonym: 2-acetylbutyrolactone,3-acetyldihydrofuran-2 3h-one,alpha-acetylbutyrolactone,alpha-acetyl-gamma-butyrolactone,3-acetyldihydro-2 3h-furanone,2 3h-furanone, 3-acetyldihydro,3-acetyltetrahydrofuran-2-one,2-oxo-3-acetyltetrahydrofuran,3-acetyltetrahydro-2-furanone,3-acetyl-2 3h-4,5-dihydrofuranone PubChem CID: 10601 IUPAC Name: 3-acetyloxolan-2-one SMILES: CC(=O)C1CCOC1=O
| PubChem CID | 10601 |
|---|---|
| CAS | 517-23-7 |
| Molecular Weight (g/mol) | 128.13 |
| MDL Number | MFCD00005394 |
| SMILES | CC(=O)C1CCOC1=O |
| Synonym | 2-acetylbutyrolactone,3-acetyldihydrofuran-2 3h-one,alpha-acetylbutyrolactone,alpha-acetyl-gamma-butyrolactone,3-acetyldihydro-2 3h-furanone,2 3h-furanone, 3-acetyldihydro,3-acetyltetrahydrofuran-2-one,2-oxo-3-acetyltetrahydrofuran,3-acetyltetrahydro-2-furanone,3-acetyl-2 3h-4,5-dihydrofuranone |
| IUPAC Name | 3-acetyloxolan-2-one |
| InChI Key | OMQHDIHZSDEIFH-UHFFFAOYNA-N |
| Molecular Formula | C6H8O3 |
[2-(1-Piperidinylmethyl)phenyl]magnesium bromide, 0.25M solution in THF, AcroSeal™
CAS: 480424-81-5 Molecular Formula: C12H16BrMgN Molecular Weight (g/mol): 278.48 MDL Number: MFCD03840894 InChI Key: SQFASMRVZVXQCK-UHFFFAOYSA-M Synonym: bromo 2-1-piperidinylmethyl phenyl magnesium,1-2-bromomagnesio phenyl methyl piperidine,2-1-piperidinylmethyl phenyl magnesium bromide solution,2-1-piperidino methyl phenylmagnesium bromide,2-1-piperidinylmethyl phenyl magnesiu,2-1-piperidinylmethyl phenyl magnesium bromide solution, 0.25 m in thf,2-1-piperidino methyl phenylmagnesium bromide 0.25 m in tetrahydrofuran,2-1-piperidino methyl phenylmagnesium bromide, 0.25m in tetrahydrofuran,grignard reagent PubChem CID: 16217258 IUPAC Name: magnesium;1-(phenylmethyl)piperidine;bromide SMILES: Br[Mg]C1=C(CN2CCCCC2)C=CC=C1
| PubChem CID | 16217258 |
|---|---|
| CAS | 480424-81-5 |
| Molecular Weight (g/mol) | 278.48 |
| MDL Number | MFCD03840894 |
| SMILES | Br[Mg]C1=C(CN2CCCCC2)C=CC=C1 |
| Synonym | bromo 2-1-piperidinylmethyl phenyl magnesium,1-2-bromomagnesio phenyl methyl piperidine,2-1-piperidinylmethyl phenyl magnesium bromide solution,2-1-piperidino methyl phenylmagnesium bromide,2-1-piperidinylmethyl phenyl magnesiu,2-1-piperidinylmethyl phenyl magnesium bromide solution, 0.25 m in thf,2-1-piperidino methyl phenylmagnesium bromide 0.25 m in tetrahydrofuran,2-1-piperidino methyl phenylmagnesium bromide, 0.25m in tetrahydrofuran,grignard reagent |
| IUPAC Name | magnesium;1-(phenylmethyl)piperidine;bromide |
| InChI Key | SQFASMRVZVXQCK-UHFFFAOYSA-M |
| Molecular Formula | C12H16BrMgN |
3-Bromothiophene-2-carboxylic acid, 97%
CAS: 7311-64-0 Molecular Formula: C5H3BrO2S Molecular Weight (g/mol): 207.041 MDL Number: MFCD00052291 InChI Key: VQQLWBUTTMNMFT-UHFFFAOYSA-N Synonym: 3-bromo-2-thiophenecarboxylic acid,3-bromo-2-thenoic acid,2-thiophenecarboxylic acid, 3-bromo,3-bromo-thiophene-2-carboxylic acid,maybridge1_007344,3-bromothiophene-2-carboxylicacid,bromothiophenecarboxylic,pubchem10096,ksc494c9j,bromo-thiophene-2-carboxylic acid PubChem CID: 2739688 IUPAC Name: 3-bromothiophene-2-carboxylic acid SMILES: C1=CSC(=C1Br)C(=O)O
| PubChem CID | 2739688 |
|---|---|
| CAS | 7311-64-0 |
| Molecular Weight (g/mol) | 207.041 |
| MDL Number | MFCD00052291 |
| SMILES | C1=CSC(=C1Br)C(=O)O |
| Synonym | 3-bromo-2-thiophenecarboxylic acid,3-bromo-2-thenoic acid,2-thiophenecarboxylic acid, 3-bromo,3-bromo-thiophene-2-carboxylic acid,maybridge1_007344,3-bromothiophene-2-carboxylicacid,bromothiophenecarboxylic,pubchem10096,ksc494c9j,bromo-thiophene-2-carboxylic acid |
| IUPAC Name | 3-bromothiophene-2-carboxylic acid |
| InChI Key | VQQLWBUTTMNMFT-UHFFFAOYSA-N |
| Molecular Formula | C5H3BrO2S |
6-Chloropurine, 99%
CAS: 87-42-3 Molecular Formula: C5H3ClN4 Molecular Weight (g/mol): 154.557 MDL Number: MFCD00075825 InChI Key: ZKBQDFAWXLTYKS-UHFFFAOYSA-N Synonym: 6-chloropurine,6-chloro-9h-purine,1h-purine, 6-chloro,6-chloro-1h-purine,purine, 6-chloro,6-cp,6-chlorpurine,6-chloro purine,6-chloropurin,chloropurine, 6 PubChem CID: 5359277 IUPAC Name: 6-chloro-7H-purine SMILES: C1=NC2=C(N1)C(=NC=N2)Cl
| PubChem CID | 5359277 |
|---|---|
| CAS | 87-42-3 |
| Molecular Weight (g/mol) | 154.557 |
| MDL Number | MFCD00075825 |
| SMILES | C1=NC2=C(N1)C(=NC=N2)Cl |
| Synonym | 6-chloropurine,6-chloro-9h-purine,1h-purine, 6-chloro,6-chloro-1h-purine,purine, 6-chloro,6-cp,6-chlorpurine,6-chloro purine,6-chloropurin,chloropurine, 6 |
| IUPAC Name | 6-chloro-7H-purine |
| InChI Key | ZKBQDFAWXLTYKS-UHFFFAOYSA-N |
| Molecular Formula | C5H3ClN4 |
3-Furanmethanol, 99%
CAS: 4412-91-3 Molecular Formula: C5H6O2 Molecular Weight (g/mol): 98.10 MDL Number: MFCD00005352 InChI Key: STJIISDMSMJQQK-UHFFFAOYSA-N Synonym: 3-furanmethanol,furan-3-methanol,3-furylmethanol,3-hydroxymethyl furan,3-furfuryl alcohol,3-hydroxymethylfuran,3-furyl alcohol,furan-3-yl-methanol,furan-3-yl methanol,3-hydroxymethyl-furan PubChem CID: 20449 IUPAC Name: furan-3-ylmethanol SMILES: OCC1=COC=C1
| PubChem CID | 20449 |
|---|---|
| CAS | 4412-91-3 |
| Molecular Weight (g/mol) | 98.10 |
| MDL Number | MFCD00005352 |
| SMILES | OCC1=COC=C1 |
| Synonym | 3-furanmethanol,furan-3-methanol,3-furylmethanol,3-hydroxymethyl furan,3-furfuryl alcohol,3-hydroxymethylfuran,3-furyl alcohol,furan-3-yl-methanol,furan-3-yl methanol,3-hydroxymethyl-furan |
| IUPAC Name | furan-3-ylmethanol |
| InChI Key | STJIISDMSMJQQK-UHFFFAOYSA-N |
| Molecular Formula | C5H6O2 |
2,3-Dimethylquinoxaline, 97%
CAS: 2379-55-7 MDL Number: MFCD00006728 InChI Key: FKHNZQFCDGOQGV-UHFFFAOYSA-N PubChem CID: 16925 IUPAC Name: 2,3-dimethylquinoxaline SMILES: CC1=NC2=CC=CC=C2N=C1C
| PubChem CID | 16925 |
|---|---|
| CAS | 2379-55-7 |
| MDL Number | MFCD00006728 |
| SMILES | CC1=NC2=CC=CC=C2N=C1C |
| IUPAC Name | 2,3-dimethylquinoxaline |
| InChI Key | FKHNZQFCDGOQGV-UHFFFAOYSA-N |
Ethyl N-piperazinecarboxylate, 99%
CAS: 120-43-4 Molecular Formula: C7H14N2O2 Molecular Weight (g/mol): 158.2 MDL Number: MFCD00005964 InChI Key: LNOQURRKNJKKBU-UHFFFAOYSA-N Synonym: ethyl n-piperazinecarboxylate,ethyl 1-piperazinecarboxylate,n-carbethoxypiperazine,1-carbethoxypiperazine,1-carboethoxypiperazine,1-piperazinecarboxylic acid, ethyl ester,n-ethoxycarbonyl piperazine,ethylcarbonyl piperazine,1-ethoxycarbonyl piperazine,ethyl 1-piperazinocarboxylate PubChem CID: 8431 IUPAC Name: ethyl piperazine-1-carboxylate SMILES: CCOC(=O)N1CCNCC1
| PubChem CID | 8431 |
|---|---|
| CAS | 120-43-4 |
| Molecular Weight (g/mol) | 158.2 |
| MDL Number | MFCD00005964 |
| SMILES | CCOC(=O)N1CCNCC1 |
| Synonym | ethyl n-piperazinecarboxylate,ethyl 1-piperazinecarboxylate,n-carbethoxypiperazine,1-carbethoxypiperazine,1-carboethoxypiperazine,1-piperazinecarboxylic acid, ethyl ester,n-ethoxycarbonyl piperazine,ethylcarbonyl piperazine,1-ethoxycarbonyl piperazine,ethyl 1-piperazinocarboxylate |
| IUPAC Name | ethyl piperazine-1-carboxylate |
| InChI Key | LNOQURRKNJKKBU-UHFFFAOYSA-N |
| Molecular Formula | C7H14N2O2 |
Methyl 6-chloronicotinate, 98%
CAS: 73781-91-6 Molecular Formula: C7H6ClNO2 Molecular Weight (g/mol): 171.58 MDL Number: MFCD00023420 InChI Key: RMEDXVIWDFLGES-UHFFFAOYSA-N PubChem CID: 254249 IUPAC Name: methyl 6-chloropyridine-3-carboxylate SMILES: COC(=O)C1=CN=C(C=C1)Cl
| PubChem CID | 254249 |
|---|---|
| CAS | 73781-91-6 |
| Molecular Weight (g/mol) | 171.58 |
| MDL Number | MFCD00023420 |
| SMILES | COC(=O)C1=CN=C(C=C1)Cl |
| IUPAC Name | methyl 6-chloropyridine-3-carboxylate |
| InChI Key | RMEDXVIWDFLGES-UHFFFAOYSA-N |
| Molecular Formula | C7H6ClNO2 |
5-Chlorouracil, 98%
CAS: 1820-81-1 Molecular Formula: C4H3ClN2O2 Molecular Weight (g/mol): 146.53 MDL Number: MFCD00006019 InChI Key: ZFTBZKVVGZNMJR-UHFFFAOYSA-N Synonym: 5-chlorouracil,2,4 1h,3h-pyrimidinedione, 5-chloro,uracil, 5-chloro,5-chloro-2,4-dihydroxypyrimidine,5-chloropyrimidine-2,4 1h,3h-dione,unii-7lq4v03rny,7lq4v03rny,5-chloro-1,3-dihydropyrimidine-2,4-dione,5-chloropyrimidine-2,4 1h,3h-dione 5-chlorouracil,zlchem 428 PubChem CID: 15758 ChEBI: CHEBI:60762 SMILES: ClC1=CNC(=O)NC1=O
| PubChem CID | 15758 |
|---|---|
| CAS | 1820-81-1 |
| Molecular Weight (g/mol) | 146.53 |
| ChEBI | CHEBI:60762 |
| MDL Number | MFCD00006019 |
| SMILES | ClC1=CNC(=O)NC1=O |
| Synonym | 5-chlorouracil,2,4 1h,3h-pyrimidinedione, 5-chloro,uracil, 5-chloro,5-chloro-2,4-dihydroxypyrimidine,5-chloropyrimidine-2,4 1h,3h-dione,unii-7lq4v03rny,7lq4v03rny,5-chloro-1,3-dihydropyrimidine-2,4-dione,5-chloropyrimidine-2,4 1h,3h-dione 5-chlorouracil,zlchem 428 |
| InChI Key | ZFTBZKVVGZNMJR-UHFFFAOYSA-N |
| Molecular Formula | C4H3ClN2O2 |
2-Methyl-1-pyrroline, Thermo Scientific Chemicals
CAS: 872-32-2 Molecular Formula: C5H10N Molecular Weight (g/mol): 84.14 MDL Number: MFCD00128806 InChI Key: OZLJZWIVBYLSOK-UHFFFAOYSA-N Synonym: 2-methyl-1-pyrroline,3,4-dihydro-5-methyl-2h-pyrrole,1pyrroline2methyl,2h-pyrrole, 3,4-dihydro-5-methyl,pubchem9412 PubChem CID: 70103 ChEBI: CHEBI:78856 IUPAC Name: 5-methyl-3,4-dihydro-2H-pyrrole SMILES: C[C+]1CCCN1
| PubChem CID | 70103 |
|---|---|
| CAS | 872-32-2 |
| Molecular Weight (g/mol) | 84.14 |
| ChEBI | CHEBI:78856 |
| MDL Number | MFCD00128806 |
| SMILES | C[C+]1CCCN1 |
| Synonym | 2-methyl-1-pyrroline,3,4-dihydro-5-methyl-2h-pyrrole,1pyrroline2methyl,2h-pyrrole, 3,4-dihydro-5-methyl,pubchem9412 |
| IUPAC Name | 5-methyl-3,4-dihydro-2H-pyrrole |
| InChI Key | OZLJZWIVBYLSOK-UHFFFAOYSA-N |
| Molecular Formula | C5H10N |
4-Benzylpiperidine, 98%
CAS: 31252-42-3 Molecular Formula: C12H17N Molecular Weight (g/mol): 175.28 MDL Number: MFCD00006006 InChI Key: ABGXADJDTPFFSZ-UHFFFAOYSA-N Synonym: piperidine, 4-phenylmethyl,4-phenylmethyl piperidine,4-benzyl-piperidine,piperidine, 4-benzyl,phenyl 4-piperidyl methane,alpha-4-piperidyl toluene,unii-jdf1t4667s,4-benzyl piperidine,4-benzylpiperdine,4-benzylpiperidin PubChem CID: 31738 IUPAC Name: 4-benzylpiperidine SMILES: C(C1CCNCC1)C1=CC=CC=C1
| PubChem CID | 31738 |
|---|---|
| CAS | 31252-42-3 |
| Molecular Weight (g/mol) | 175.28 |
| MDL Number | MFCD00006006 |
| SMILES | C(C1CCNCC1)C1=CC=CC=C1 |
| Synonym | piperidine, 4-phenylmethyl,4-phenylmethyl piperidine,4-benzyl-piperidine,piperidine, 4-benzyl,phenyl 4-piperidyl methane,alpha-4-piperidyl toluene,unii-jdf1t4667s,4-benzyl piperidine,4-benzylpiperdine,4-benzylpiperidin |
| IUPAC Name | 4-benzylpiperidine |
| InChI Key | ABGXADJDTPFFSZ-UHFFFAOYSA-N |
| Molecular Formula | C12H17N |
5-Cyanoindole, 99%
CAS: 15861-24-2 Molecular Formula: C9H6N2 Molecular Weight (g/mol): 142.16 MDL Number: MFCD00005669 InChI Key: YHYLDEVWYOFIJK-UHFFFAOYSA-N Synonym: 5-cyanoindole,indole-5-carbonitrile,5-cyano indole,5-cyano-1h-indole,indole-5-cyano,5-indolecarbonitrile,5-cyano-indole,indol-5-carbonitrile,indole, 5-cyano,pubchem7326 PubChem CID: 27513 IUPAC Name: 1H-indole-5-carbonitrile SMILES: C1=CC2=C(C=CN2)C=C1C#N
| PubChem CID | 27513 |
|---|---|
| CAS | 15861-24-2 |
| Molecular Weight (g/mol) | 142.16 |
| MDL Number | MFCD00005669 |
| SMILES | C1=CC2=C(C=CN2)C=C1C#N |
| Synonym | 5-cyanoindole,indole-5-carbonitrile,5-cyano indole,5-cyano-1h-indole,indole-5-cyano,5-indolecarbonitrile,5-cyano-indole,indol-5-carbonitrile,indole, 5-cyano,pubchem7326 |
| IUPAC Name | 1H-indole-5-carbonitrile |
| InChI Key | YHYLDEVWYOFIJK-UHFFFAOYSA-N |
| Molecular Formula | C9H6N2 |
Cytochalasin B
CAS: 14930-96-2 Molecular Formula: C29H37NO5 Molecular Weight (g/mol): 479.62 MDL Number: MFCD00077704 InChI Key: GBOGMAARMMDZGR-UHFFFAOYNA-N Synonym: cytochalasin b,cytochalasin b from helminthosporium dematioideum PubChem CID: 44634701 IUPAC Name: 16-benzyl-5,13-dihydroxy-9,15-dimethyl-14-methylidene-2H,5H,6H,7H,8H,9H,10H,12aH,13H,14H,15H,15aH,16H,17H,18H-oxacyclotetradeca[3,2-e]isoindole-2,18-dione SMILES: CC1C2C(CC3=CC=CC=C3)NC(=O)C22OC(=O)C=CC(O)CCCC(C)CC=CC2C(O)C1=C
| PubChem CID | 44634701 |
|---|---|
| CAS | 14930-96-2 |
| Molecular Weight (g/mol) | 479.62 |
| MDL Number | MFCD00077704 |
| SMILES | CC1C2C(CC3=CC=CC=C3)NC(=O)C22OC(=O)C=CC(O)CCCC(C)CC=CC2C(O)C1=C |
| Synonym | cytochalasin b,cytochalasin b from helminthosporium dematioideum |
| IUPAC Name | 16-benzyl-5,13-dihydroxy-9,15-dimethyl-14-methylidene-2H,5H,6H,7H,8H,9H,10H,12aH,13H,14H,15H,15aH,16H,17H,18H-oxacyclotetradeca[3,2-e]isoindole-2,18-dione |
| InChI Key | GBOGMAARMMDZGR-UHFFFAOYNA-N |
| Molecular Formula | C29H37NO5 |
3-Cyano-4-hydroxybenzeneboronic acid pinacol ester, 95%, Thermo Scientific Chemicals
CAS: 775351-56-9 Molecular Formula: C13H16BNO3 Molecular Weight (g/mol): 245.085 MDL Number: MFCD16994355 InChI Key: PUOBFTBTFCPICR-UHFFFAOYSA-N Synonym: 2-hydroxy-5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzonitrile,benzonitrile, 2-hydroxy-5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl,acmc-209pam,3-cyano-4-bydroxy-boronic acid pinacol ester,2-hydroxy-benzonitrile-5-boronic acid pinacol ester,3-cyano-4-hydroxyphenyl boronic acid pinacol ester,2-hydroxy-5-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl benzonitrile,2-hydroxy-5-tetramethyl-1,3,2-dioxaborolan-2-yl benzonitrile PubChem CID: 11481958 IUPAC Name: 2-hydroxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)O)C#N
| PubChem CID | 11481958 |
|---|---|
| CAS | 775351-56-9 |
| Molecular Weight (g/mol) | 245.085 |
| MDL Number | MFCD16994355 |
| SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)O)C#N |
| Synonym | 2-hydroxy-5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzonitrile,benzonitrile, 2-hydroxy-5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl,acmc-209pam,3-cyano-4-bydroxy-boronic acid pinacol ester,2-hydroxy-benzonitrile-5-boronic acid pinacol ester,3-cyano-4-hydroxyphenyl boronic acid pinacol ester,2-hydroxy-5-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl benzonitrile,2-hydroxy-5-tetramethyl-1,3,2-dioxaborolan-2-yl benzonitrile |
| IUPAC Name | 2-hydroxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile |
| InChI Key | PUOBFTBTFCPICR-UHFFFAOYSA-N |
| Molecular Formula | C13H16BNO3 |