Organoheterocyclic compounds
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4,5-Imidazoledicarboxylic acid, 97%
CAS: 570-22-9 Molecular Formula: C5H4N2O4 Molecular Weight (g/mol): 156.10 MDL Number: MFCD00005200 InChI Key: ZEVWQFWTGHFIDH-UHFFFAOYSA-N Synonym: 4,5-imidazoledicarboxylic acid,imidazole-4,5-dicarboxylic acid,glyoxalinedicarboxylic acid,4,5-dicarboxyimidazole,4,5-imidazoledicarboxylate,glycoxalinedicarboxylic acid,alpha-beta-imidazolecarboxylic acid,alpha,beta-imidazoledicarboxylic acid,4.5-imidazoledicarboxylic acid,4,5-imidazole dicarboxylic acid PubChem CID: 68442 IUPAC Name: 1H-imidazole-4,5-dicarboxylic acid SMILES: OC(=O)C1=C(N=CN1)C(O)=O
| PubChem CID | 68442 |
|---|---|
| CAS | 570-22-9 |
| Molecular Weight (g/mol) | 156.10 |
| MDL Number | MFCD00005200 |
| SMILES | OC(=O)C1=C(N=CN1)C(O)=O |
| Synonym | 4,5-imidazoledicarboxylic acid,imidazole-4,5-dicarboxylic acid,glyoxalinedicarboxylic acid,4,5-dicarboxyimidazole,4,5-imidazoledicarboxylate,glycoxalinedicarboxylic acid,alpha-beta-imidazolecarboxylic acid,alpha,beta-imidazoledicarboxylic acid,4.5-imidazoledicarboxylic acid,4,5-imidazole dicarboxylic acid |
| IUPAC Name | 1H-imidazole-4,5-dicarboxylic acid |
| InChI Key | ZEVWQFWTGHFIDH-UHFFFAOYSA-N |
| Molecular Formula | C5H4N2O4 |
1-[4-(1H-Indol-3-yl)piperidino]ethan-1-one, 97%, Thermo Scientific™
CAS: 30030-83-2 Molecular Formula: C15H18N2O Molecular Weight (g/mol): 242.322 MDL Number: MFCD01764639 InChI Key: PRFIVCWVSORYRV-UHFFFAOYSA-N Synonym: 1-4-1h-indol-3-yl piperidino ethan-1-one,1-4-1h-indol-3-yl piperidin-1-yl ethanone,maybridge3_005459,3-n-acetyl-4-piperidyl indole,1-acetyl-4-indol-3-ylpiperidine,3-1-acetyl-4-piperidyl indole,1-acetyl-4-1h-indol-3-yl piperidine,3-1-acetylpiperidin-4-yl-1h-indole,1-4-1h-indol-3-yl-piperidin-1-yl-ethanone PubChem CID: 2728359 IUPAC Name: 1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone SMILES: CC(=O)N1CCC(CC1)C2=CNC3=CC=CC=C32
| PubChem CID | 2728359 |
|---|---|
| CAS | 30030-83-2 |
| Molecular Weight (g/mol) | 242.322 |
| MDL Number | MFCD01764639 |
| SMILES | CC(=O)N1CCC(CC1)C2=CNC3=CC=CC=C32 |
| Synonym | 1-4-1h-indol-3-yl piperidino ethan-1-one,1-4-1h-indol-3-yl piperidin-1-yl ethanone,maybridge3_005459,3-n-acetyl-4-piperidyl indole,1-acetyl-4-indol-3-ylpiperidine,3-1-acetyl-4-piperidyl indole,1-acetyl-4-1h-indol-3-yl piperidine,3-1-acetylpiperidin-4-yl-1h-indole,1-4-1h-indol-3-yl-piperidin-1-yl-ethanone |
| IUPAC Name | 1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone |
| InChI Key | PRFIVCWVSORYRV-UHFFFAOYSA-N |
| Molecular Formula | C15H18N2O |
2,3-Diphenylquinoxaline, 98+%
CAS: 1684-14-6 Molecular Formula: C20H14N2 Molecular Weight (g/mol): 282.346 MDL Number: MFCD00014659 InChI Key: RSNQVABHABAKEZ-UHFFFAOYSA-N PubChem CID: 74311 IUPAC Name: 2,3-diphenylquinoxaline SMILES: C1=CC=C(C=C1)C2=NC3=CC=CC=C3N=C2C4=CC=CC=C4
| PubChem CID | 74311 |
|---|---|
| CAS | 1684-14-6 |
| Molecular Weight (g/mol) | 282.346 |
| MDL Number | MFCD00014659 |
| SMILES | C1=CC=C(C=C1)C2=NC3=CC=CC=C3N=C2C4=CC=CC=C4 |
| IUPAC Name | 2,3-diphenylquinoxaline |
| InChI Key | RSNQVABHABAKEZ-UHFFFAOYSA-N |
| Molecular Formula | C20H14N2 |
Methyl nicotinate, 99%
CAS: 93-60-7 Molecular Formula: C7H7NO2 Molecular Weight (g/mol): 137.138 MDL Number: MFCD00006388 InChI Key: YNBADRVTZLEFNH-UHFFFAOYSA-N Synonym: methyl nicotinate,nikomet,methylnicotinate,nicotinic acid methyl ester,nicometh,methyl 3-pyridinecarboxylate,methyl-nicotinate,3-pyridinecarboxylic acid, methyl ester,heat spray,nicotinic acid, methyl ester PubChem CID: 7151 IUPAC Name: methyl pyridine-3-carboxylate SMILES: COC(=O)C1=CN=CC=C1
| PubChem CID | 7151 |
|---|---|
| CAS | 93-60-7 |
| Molecular Weight (g/mol) | 137.138 |
| MDL Number | MFCD00006388 |
| SMILES | COC(=O)C1=CN=CC=C1 |
| Synonym | methyl nicotinate,nikomet,methylnicotinate,nicotinic acid methyl ester,nicometh,methyl 3-pyridinecarboxylate,methyl-nicotinate,3-pyridinecarboxylic acid, methyl ester,heat spray,nicotinic acid, methyl ester |
| IUPAC Name | methyl pyridine-3-carboxylate |
| InChI Key | YNBADRVTZLEFNH-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO2 |
3-Pyrid-2-ylbenzaldehyde, ≥97%, Thermo Scientific™
CAS: 85553-53-3 Molecular Formula: C12H9NO Molecular Weight (g/mol): 183.21 MDL Number: MFCD02684103 InChI Key: SAPNGHSAYQXRPG-UHFFFAOYSA-N Synonym: 3-2-pyridyl benzaldehyde,3-pyridin-2-yl benzaldehyde,3-2-pyridinyl benzaldehyde,3-pyridin-2-yl-benzaldehyde,3-pyrid-2-ylbenzaldehyde,benzaldehyde, 3-2-pyridinyl,2-3-formylphenyl pyridine,acmc-209q6q,benzaldehyde,3-2-pyridinyl,5-2-pyridyl benzaldehyde PubChem CID: 3710039 IUPAC Name: 3-pyridin-2-ylbenzaldehyde SMILES: C1=CC=NC(=C1)C2=CC(=CC=C2)C=O
| PubChem CID | 3710039 |
|---|---|
| CAS | 85553-53-3 |
| Molecular Weight (g/mol) | 183.21 |
| MDL Number | MFCD02684103 |
| SMILES | C1=CC=NC(=C1)C2=CC(=CC=C2)C=O |
| Synonym | 3-2-pyridyl benzaldehyde,3-pyridin-2-yl benzaldehyde,3-2-pyridinyl benzaldehyde,3-pyridin-2-yl-benzaldehyde,3-pyrid-2-ylbenzaldehyde,benzaldehyde, 3-2-pyridinyl,2-3-formylphenyl pyridine,acmc-209q6q,benzaldehyde,3-2-pyridinyl,5-2-pyridyl benzaldehyde |
| IUPAC Name | 3-pyridin-2-ylbenzaldehyde |
| InChI Key | SAPNGHSAYQXRPG-UHFFFAOYSA-N |
| Molecular Formula | C12H9NO |
Theophylline, MP Biomedicals™
CAS: 58-55-9 Molecular Formula: C7H8N4O2 Molecular Weight (g/mol): 180.167 InChI Key: ZFXYFBGIUFBOJW-UHFFFAOYSA-N Synonym: theophylline,1,3-dimethylxanthine,elixophyllin,theophyllin,theolair,nuelin,theophylline anhydrous,respbid,theocin,theo-dur PubChem CID: 2153 ChEBI: CHEBI:28177 IUPAC Name: 1,3-dimethyl-7H-purine-2,6-dione SMILES: CN1C2=C(C(=O)N(C1=O)C)NC=N2
| PubChem CID | 2153 |
|---|---|
| CAS | 58-55-9 |
| Molecular Weight (g/mol) | 180.167 |
| ChEBI | CHEBI:28177 |
| SMILES | CN1C2=C(C(=O)N(C1=O)C)NC=N2 |
| Synonym | theophylline,1,3-dimethylxanthine,elixophyllin,theophyllin,theolair,nuelin,theophylline anhydrous,respbid,theocin,theo-dur |
| IUPAC Name | 1,3-dimethyl-7H-purine-2,6-dione |
| InChI Key | ZFXYFBGIUFBOJW-UHFFFAOYSA-N |
| Molecular Formula | C7H8N4O2 |
Theophylline, 99.51%, MP Biomedicals™
CAS: 58-55-9 Molecular Formula: C7H8N4O2 Molecular Weight (g/mol): 180.167 InChI Key: ZFXYFBGIUFBOJW-UHFFFAOYSA-N Synonym: theophylline,1,3-dimethylxanthine,elixophyllin,theophyllin,theolair,nuelin,theophylline anhydrous,respbid,theocin,theo-dur PubChem CID: 2153 ChEBI: CHEBI:28177 IUPAC Name: 1,3-dimethyl-7H-purine-2,6-dione SMILES: CN1C2=C(C(=O)N(C1=O)C)NC=N2
| PubChem CID | 2153 |
|---|---|
| CAS | 58-55-9 |
| Molecular Weight (g/mol) | 180.167 |
| ChEBI | CHEBI:28177 |
| SMILES | CN1C2=C(C(=O)N(C1=O)C)NC=N2 |
| Synonym | theophylline,1,3-dimethylxanthine,elixophyllin,theophyllin,theolair,nuelin,theophylline anhydrous,respbid,theocin,theo-dur |
| IUPAC Name | 1,3-dimethyl-7H-purine-2,6-dione |
| InChI Key | ZFXYFBGIUFBOJW-UHFFFAOYSA-N |
| Molecular Formula | C7H8N4O2 |
Chlorpheniramine maleate, 99%
CAS: 113-92-8 Molecular Formula: C20H23ClN2O4 Molecular Weight (g/mol): 390.86 MDL Number: MFCD00069225 InChI Key: DBAKFASWICGISY-BTJKTKAUNA-N Synonym: chlorpheniramine maleate,antagonate,allerclor,allergin,chlormene,alunex,carbinoxamide maleate,allergisan,-chlorpheniramine maleate salt,dl-2-p-chloro-a-2-dimethylamino ethylbenzyl pyridine bimaleate PubChem CID: 5281068 ChEBI: CHEBI:3645 IUPAC Name: [3-(4-chlorophenyl)-3-(pyridin-2-yl)propyl]dimethylazanium (2Z)-3-carboxyprop-2-enoate SMILES: OC(=O)\C=C/C([O-])=O.C[NH+](C)CCC(C1=CC=C(Cl)C=C1)C1=CC=CC=N1
| PubChem CID | 5281068 |
|---|---|
| CAS | 113-92-8 |
| Molecular Weight (g/mol) | 390.86 |
| ChEBI | CHEBI:3645 |
| MDL Number | MFCD00069225 |
| SMILES | OC(=O)\C=C/C([O-])=O.C[NH+](C)CCC(C1=CC=C(Cl)C=C1)C1=CC=CC=N1 |
| Synonym | chlorpheniramine maleate,antagonate,allerclor,allergin,chlormene,alunex,carbinoxamide maleate,allergisan,-chlorpheniramine maleate salt,dl-2-p-chloro-a-2-dimethylamino ethylbenzyl pyridine bimaleate |
| IUPAC Name | [3-(4-chlorophenyl)-3-(pyridin-2-yl)propyl]dimethylazanium (2Z)-3-carboxyprop-2-enoate |
| InChI Key | DBAKFASWICGISY-BTJKTKAUNA-N |
| Molecular Formula | C20H23ClN2O4 |
(2,4-Diphenyl-1,3-thiazol-5-yl)methanol, ≥97%, Thermo Scientific™
CAS: 864068-86-0 Molecular Formula: C16H13NOS Molecular Weight (g/mol): 267.35 MDL Number: MFCD08060522 InChI Key: IVIJHUHOSCRMNY-UHFFFAOYSA-N Synonym: 2,4-diphenyl-1,3-thiazol-5-yl methanol,diphenyl-1,3-thiazol-5-yl methanol,5-thiazolemethanol,2,4-diphenyl,2,4-diphenylthiazol-5-yl methanol PubChem CID: 7537555 IUPAC Name: (2,4-diphenyl-1,3-thiazol-5-yl)methanol SMILES: OCC1=C(N=C(S1)C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 7537555 |
|---|---|
| CAS | 864068-86-0 |
| Molecular Weight (g/mol) | 267.35 |
| MDL Number | MFCD08060522 |
| SMILES | OCC1=C(N=C(S1)C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | 2,4-diphenyl-1,3-thiazol-5-yl methanol,diphenyl-1,3-thiazol-5-yl methanol,5-thiazolemethanol,2,4-diphenyl,2,4-diphenylthiazol-5-yl methanol |
| IUPAC Name | (2,4-diphenyl-1,3-thiazol-5-yl)methanol |
| InChI Key | IVIJHUHOSCRMNY-UHFFFAOYSA-N |
| Molecular Formula | C16H13NOS |
5-Bromo-4-methyl-2-phenyl-1,3-oxazole, 95%, Thermo Scientific™
CAS: 21354-98-3 Molecular Formula: C10H8BrNO Molecular Weight (g/mol): 238.08 MDL Number: MFCD11109319 InChI Key: QHQQHNFHCQSTBJ-UHFFFAOYSA-N Synonym: 5-bromo-4-methyl-2-phenyloxazole,4-methyl-2-phenyl-5-bromooxazole,oxazole,5-bromo-4-methyl-2-phenyl,5-bromo-4-methyl-1,3-oxazol-2-yl benzene PubChem CID: 15328586 IUPAC Name: 5-bromo-4-methyl-2-phenyl-1,3-oxazole SMILES: CC1=C(Br)OC(=N1)C1=CC=CC=C1
| PubChem CID | 15328586 |
|---|---|
| CAS | 21354-98-3 |
| Molecular Weight (g/mol) | 238.08 |
| MDL Number | MFCD11109319 |
| SMILES | CC1=C(Br)OC(=N1)C1=CC=CC=C1 |
| Synonym | 5-bromo-4-methyl-2-phenyloxazole,4-methyl-2-phenyl-5-bromooxazole,oxazole,5-bromo-4-methyl-2-phenyl,5-bromo-4-methyl-1,3-oxazol-2-yl benzene |
| IUPAC Name | 5-bromo-4-methyl-2-phenyl-1,3-oxazole |
| InChI Key | QHQQHNFHCQSTBJ-UHFFFAOYSA-N |
| Molecular Formula | C10H8BrNO |
3-Aminobenzeneboronic acid pinacol ester, 97%
CAS: 210907-84-9 Molecular Formula: C12H18BNO2 Molecular Weight (g/mol): 219.09 MDL Number: MFCD03453668 InChI Key: YMXIIVIQLHYKOT-UHFFFAOYSA-N Synonym: 3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl aniline,3-aminophenylboronic acid pinacol ester,benzenamine, 3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl,3-aminophenylboronic acid, pinacol ester,3-tetramethyl-1,3,2-dioxaborolan-2-yl aniline,3-aminobenzeneboronic acid pinacol ester,3-aminophenylboronic acid, pinacol cyclic ester,3-aminophenylboronicacidpinacolester,apbe,amtb060 PubChem CID: 2734655 IUPAC Name: 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline SMILES: CC1(C)OB(OC1(C)C)C1=CC=CC(N)=C1
| PubChem CID | 2734655 |
|---|---|
| CAS | 210907-84-9 |
| Molecular Weight (g/mol) | 219.09 |
| MDL Number | MFCD03453668 |
| SMILES | CC1(C)OB(OC1(C)C)C1=CC=CC(N)=C1 |
| Synonym | 3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl aniline,3-aminophenylboronic acid pinacol ester,benzenamine, 3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl,3-aminophenylboronic acid, pinacol ester,3-tetramethyl-1,3,2-dioxaborolan-2-yl aniline,3-aminobenzeneboronic acid pinacol ester,3-aminophenylboronic acid, pinacol cyclic ester,3-aminophenylboronicacidpinacolester,apbe,amtb060 |
| IUPAC Name | 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline |
| InChI Key | YMXIIVIQLHYKOT-UHFFFAOYSA-N |
| Molecular Formula | C12H18BNO2 |
1-Boc-4-(4-aminophenyl)piperazine, 97%
CAS: 170911-92-9 Molecular Formula: C15H23N3O2 Molecular Weight (g/mol): 277.368 MDL Number: MFCD04115065 InChI Key: RXFHRKPNLPBDGE-UHFFFAOYSA-N Synonym: tert-butyl 4-4-aminophenyl piperazine-1-carboxylate,4-4-aminophenyl piperazine-1-carboxylic acid tert-butyl ester,4-4-boc-piperazin-1-yl aniline,1-boc-4-4-aminophenyl piperazine,1-piperazinecarboxylic acid, 4-4-aminophenyl-, 1,1-dimethylethyl ester,4-4-aminophenyl-piperazine-1-carboxylic acid tert-butyl ester,1-boc-4-4'-aminophenyl piperazine dihydrochloride,1-boc-4-4-aminophenyl-piperazine,pubchem12198 PubChem CID: 11011301 IUPAC Name: tert-butyl 4-(4-aminophenyl)piperazine-1-carboxylate SMILES: CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)N
| PubChem CID | 11011301 |
|---|---|
| CAS | 170911-92-9 |
| Molecular Weight (g/mol) | 277.368 |
| MDL Number | MFCD04115065 |
| SMILES | CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)N |
| Synonym | tert-butyl 4-4-aminophenyl piperazine-1-carboxylate,4-4-aminophenyl piperazine-1-carboxylic acid tert-butyl ester,4-4-boc-piperazin-1-yl aniline,1-boc-4-4-aminophenyl piperazine,1-piperazinecarboxylic acid, 4-4-aminophenyl-, 1,1-dimethylethyl ester,4-4-aminophenyl-piperazine-1-carboxylic acid tert-butyl ester,1-boc-4-4'-aminophenyl piperazine dihydrochloride,1-boc-4-4-aminophenyl-piperazine,pubchem12198 |
| IUPAC Name | tert-butyl 4-(4-aminophenyl)piperazine-1-carboxylate |
| InChI Key | RXFHRKPNLPBDGE-UHFFFAOYSA-N |
| Molecular Formula | C15H23N3O2 |
MilliporeSigma™ DAF-FM DA, Calbiochem™,
CAS: 254109-22-3 Molecular Formula: C25H18F2N2O7 Molecular Weight (g/mol): 496.42 MDL Number: MFCD16872050 InChI Key: BEVHTVRRVVEMEF-UHFFFAOYSA-N Synonym: daf-fm da,3-amino-4-n-methylamino-2', 7'-difluorofluorescein diacetate,3-amino, 4-aminomethyl-2′,7′-difluorofluorescein diacetate,daf-fm da cell permeable,daf-fm da cellpermeable,diaminofluorescein-fm diacetate,daf-fm da hplc,4-amino-5-methylamino-2',7'-difluorescein diacetate,4-amino-5-methylamino-2',7'-difluorofluorescein diacetate,daf-fm da solution 5 mm in dmso , 1 mg in 0.40 ml dmso PubChem CID: 2762646 IUPAC Name: 6'-(acetyloxy)-4-amino-2',7'-difluoro-5-(methylamino)-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-3'-yl acetate SMILES: CNC1=C(N)C2=C(C=C1)C1(OC2=O)C2=CC(F)=C(OC(C)=O)C=C2OC2=CC(OC(C)=O)=C(F)C=C12
| PubChem CID | 2762646 |
|---|---|
| CAS | 254109-22-3 |
| Molecular Weight (g/mol) | 496.42 |
| MDL Number | MFCD16872050 |
| SMILES | CNC1=C(N)C2=C(C=C1)C1(OC2=O)C2=CC(F)=C(OC(C)=O)C=C2OC2=CC(OC(C)=O)=C(F)C=C12 |
| Synonym | daf-fm da,3-amino-4-n-methylamino-2', 7'-difluorofluorescein diacetate,3-amino, 4-aminomethyl-2′,7′-difluorofluorescein diacetate,daf-fm da cell permeable,daf-fm da cellpermeable,diaminofluorescein-fm diacetate,daf-fm da hplc,4-amino-5-methylamino-2',7'-difluorescein diacetate,4-amino-5-methylamino-2',7'-difluorofluorescein diacetate,daf-fm da solution 5 mm in dmso , 1 mg in 0.40 ml dmso |
| IUPAC Name | 6'-(acetyloxy)-4-amino-2',7'-difluoro-5-(methylamino)-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-3'-yl acetate |
| InChI Key | BEVHTVRRVVEMEF-UHFFFAOYSA-N |
| Molecular Formula | C25H18F2N2O7 |
3,4-Dihydro-2H-pyran, 99%
CAS: 110-87-2 Molecular Formula: C5H8O Molecular Weight (g/mol): 84.118 MDL Number: MFCD00006558 InChI Key: BUDQDWGNQVEFAC-UHFFFAOYSA-N Synonym: dihydropyran,3,4-dihydropyran,2,3-dihydropyran,2h-3,4-dihydropyran,2,3-dihydro-4h-pyran,dihydro-2h-pyran,2h-pyran, dihydro,2h-pyran, 3,4-dihydro,5,6-dihydro-4h-pyran,dihydropyrane PubChem CID: 8080 IUPAC Name: 3,4-dihydro-2H-pyran SMILES: C1CC=COC1
| PubChem CID | 8080 |
|---|---|
| CAS | 110-87-2 |
| Molecular Weight (g/mol) | 84.118 |
| MDL Number | MFCD00006558 |
| SMILES | C1CC=COC1 |
| Synonym | dihydropyran,3,4-dihydropyran,2,3-dihydropyran,2h-3,4-dihydropyran,2,3-dihydro-4h-pyran,dihydro-2h-pyran,2h-pyran, dihydro,2h-pyran, 3,4-dihydro,5,6-dihydro-4h-pyran,dihydropyrane |
| IUPAC Name | 3,4-dihydro-2H-pyran |
| InChI Key | BUDQDWGNQVEFAC-UHFFFAOYSA-N |
| Molecular Formula | C5H8O |
N-Heptafluorobutyrylimidazole, ≥98.5% (GC); 98.5-101.0 wt. % (NT), MilliporeSigma™ Supelco™
MDL Number: MFCD00014503 Synonym: 1-(Perfluorobutyryl)imidazole; NSC 151966
| MDL Number | MFCD00014503 |
|---|---|
| Synonym | 1-(Perfluorobutyryl)imidazole; NSC 151966 |