Organoheterocyclic compounds
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5-Aminofluorescein (isomer I) 95.0+%, TCI America™
CAS: 3326-34-9 Molecular Formula: C20H13NO5 Molecular Weight (g/mol): 347.33 MDL Number: MFCD00005052 InChI Key: GZAJOEGTZDUSKS-UHFFFAOYSA-N Synonym: 5-aminofluorescein,fluoresceinamine,4-aminofluorescein,fluoresceinamine isomer i,fluoresceinamine, isomer i,1-aminofluorescein,spiro isobenzofuran-1 3h ,9'-9h xanthen-3-one, 5-amino-3',6'-dihydroxy,5 6-aminofluorescein mixture of isomers,5-amino-3',6'-dihydroxyspiro 2-benzofuran-1,9'-xanthene-3-one,5-amino-3',6'-dihydroxy-3h-spiro 2-benzofuran-1,9'-xanthene-3-one PubChem CID: 76845 IUPAC Name: 5-amino-3',6'-dihydroxy-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one SMILES: NC1=CC=C2C(=C1)C(=O)OC21C2=CC=C(O)C=C2OC2=CC(O)=CC=C12
| PubChem CID | 76845 |
|---|---|
| CAS | 3326-34-9 |
| Molecular Weight (g/mol) | 347.33 |
| MDL Number | MFCD00005052 |
| SMILES | NC1=CC=C2C(=C1)C(=O)OC21C2=CC=C(O)C=C2OC2=CC(O)=CC=C12 |
| Synonym | 5-aminofluorescein,fluoresceinamine,4-aminofluorescein,fluoresceinamine isomer i,fluoresceinamine, isomer i,1-aminofluorescein,spiro isobenzofuran-1 3h ,9'-9h xanthen-3-one, 5-amino-3',6'-dihydroxy,5 6-aminofluorescein mixture of isomers,5-amino-3',6'-dihydroxyspiro 2-benzofuran-1,9'-xanthene-3-one,5-amino-3',6'-dihydroxy-3h-spiro 2-benzofuran-1,9'-xanthene-3-one |
| IUPAC Name | 5-amino-3',6'-dihydroxy-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one |
| InChI Key | GZAJOEGTZDUSKS-UHFFFAOYSA-N |
| Molecular Formula | C20H13NO5 |
Imidazo[1,2-a]pyridine 98.0+%, TCI America™
CAS: 274-76-0 Molecular Formula: C7H6N2 Molecular Weight (g/mol): 118.14 MDL Number: MFCD00005553 InChI Key: UTCSSFWDNNEEBH-UHFFFAOYSA-N Synonym: imidazo 1,2-a pyridine,unii-g18zbv2hxa,1h-imidazo 1,2-a pyridine,g18zbv2hxa,pyrimidazole,1-azaindolizine,1,3a-diazaindene,pubchem17181,imidazo l,2-a pyridine PubChem CID: 78960 IUPAC Name: imidazo[1,2-a]pyridine SMILES: C1=CN2C=CC=CC2=N1
| PubChem CID | 78960 |
|---|---|
| CAS | 274-76-0 |
| Molecular Weight (g/mol) | 118.14 |
| MDL Number | MFCD00005553 |
| SMILES | C1=CN2C=CC=CC2=N1 |
| Synonym | imidazo 1,2-a pyridine,unii-g18zbv2hxa,1h-imidazo 1,2-a pyridine,g18zbv2hxa,pyrimidazole,1-azaindolizine,1,3a-diazaindene,pubchem17181,imidazo l,2-a pyridine |
| IUPAC Name | imidazo[1,2-a]pyridine |
| InChI Key | UTCSSFWDNNEEBH-UHFFFAOYSA-N |
| Molecular Formula | C7H6N2 |
Azelastine Hydrochloride 98.0+%, TCI America™
CAS: 79307-93-0 Molecular Formula: C22H25Cl2N3O Molecular Weight (g/mol): 418.36 MDL Number: MFCD00242783 InChI Key: YEJAJYAHJQIWNU-UHFFFAOYNA-N Synonym: 4-(4-Chlorobenzyl)-2-(1-methylazepan-4-yl)-1-phthalazinone Hydrochloride PubChem CID: 50986914 ChEBI: CHEBI:2951 IUPAC Name: hydrogen 4-[(4-chlorophenyl)methyl]-2-(1-methylazepan-4-yl)-1,2-dihydrophthalazin-1-one chloride SMILES: [H+].[Cl-].CN1CCCC(CC1)N1N=C(CC2=CC=C(Cl)C=C2)C2=CC=CC=C2C1=O
| PubChem CID | 50986914 |
|---|---|
| CAS | 79307-93-0 |
| Molecular Weight (g/mol) | 418.36 |
| ChEBI | CHEBI:2951 |
| MDL Number | MFCD00242783 |
| SMILES | [H+].[Cl-].CN1CCCC(CC1)N1N=C(CC2=CC=C(Cl)C=C2)C2=CC=CC=C2C1=O |
| Synonym | 4-(4-Chlorobenzyl)-2-(1-methylazepan-4-yl)-1-phthalazinone Hydrochloride |
| IUPAC Name | hydrogen 4-[(4-chlorophenyl)methyl]-2-(1-methylazepan-4-yl)-1,2-dihydrophthalazin-1-one chloride |
| InChI Key | YEJAJYAHJQIWNU-UHFFFAOYNA-N |
| Molecular Formula | C22H25Cl2N3O |
epsilon-Thiocaprolactam 98.0+%, TCI America™
CAS: 7203-96-5 Molecular Formula: C6H11NS Molecular Weight (g/mol): 129.221 MDL Number: MFCD00006937 InChI Key: APLHDUWNMGJBFD-UHFFFAOYSA-N Synonym: Hexahydro-2-azepinethione, 2-Thioxohexamethyleneimine PubChem CID: 3003736 IUPAC Name: azepane-2-thione SMILES: C1CCC(=S)NCC1
| PubChem CID | 3003736 |
|---|---|
| CAS | 7203-96-5 |
| Molecular Weight (g/mol) | 129.221 |
| MDL Number | MFCD00006937 |
| SMILES | C1CCC(=S)NCC1 |
| Synonym | Hexahydro-2-azepinethione, 2-Thioxohexamethyleneimine |
| IUPAC Name | azepane-2-thione |
| InChI Key | APLHDUWNMGJBFD-UHFFFAOYSA-N |
| Molecular Formula | C6H11NS |
1,3,5-Trithiane 98.0+%, TCI America™
CAS: 291-21-4 Molecular Formula: C3H6S3 Molecular Weight (g/mol): 138.261 MDL Number: MFCD00006653 InChI Key: LORRLQMLLQLPSJ-UHFFFAOYSA-N Synonym: s-trithiane,trithioformaldehyde,sym-trithian,thioform,trimethylene trisulfide,1,3,5-trithiacyclohexane,trimethylentrisulfid,sym-trithiane,formaldehyde, thio-, trimer,thioform czech PubChem CID: 9264 ChEBI: CHEBI:39196 IUPAC Name: 1,3,5-trithiane SMILES: C1SCSCS1
| PubChem CID | 9264 |
|---|---|
| CAS | 291-21-4 |
| Molecular Weight (g/mol) | 138.261 |
| ChEBI | CHEBI:39196 |
| MDL Number | MFCD00006653 |
| SMILES | C1SCSCS1 |
| Synonym | s-trithiane,trithioformaldehyde,sym-trithian,thioform,trimethylene trisulfide,1,3,5-trithiacyclohexane,trimethylentrisulfid,sym-trithiane,formaldehyde, thio-, trimer,thioform czech |
| IUPAC Name | 1,3,5-trithiane |
| InChI Key | LORRLQMLLQLPSJ-UHFFFAOYSA-N |
| Molecular Formula | C3H6S3 |
Kenpaullone 97.0+%, TCI America™
CAS: 142273-20-9 Molecular Formula: C16H11BrN2O Molecular Weight (g/mol): 327.181 MDL Number: MFCD02683595 InChI Key: QQUXFYAWXPMDOE-UHFFFAOYSA-N Synonym: kenpaullone,9-bromopaullone,9-bromo-7,12-dihydroindolo 3,2-d 1 benzazepin-6 5h-one,indolo 3,2-d 1 benzazepin-6 5h-one,9-bromo-7,12-dihydro,9-bromo-7,12-dihydro-indolo 3,2-d 1 benzazepin-6 5h-one,9-bromo-7,12-dihydro-5h-indolo 3,2-d 1 benzazepin-6-one,9-bromo-7,12-dihydro-indolo-3,2-d-1 benzazepin-6 5h-one,9-bromo-7,12-dihydrobenzo 2,3 azepino 4,5-b indol-6 5h-one,indolo 3,2-d 1 benzazepin-6 5h-one, 9-bromo-7,12-dihydro PubChem CID: 3820 IUPAC Name: 9-bromo-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one SMILES: C1C2=C(C3=CC=CC=C3NC1=O)NC4=C2C=C(C=C4)Br
| PubChem CID | 3820 |
|---|---|
| CAS | 142273-20-9 |
| Molecular Weight (g/mol) | 327.181 |
| MDL Number | MFCD02683595 |
| SMILES | C1C2=C(C3=CC=CC=C3NC1=O)NC4=C2C=C(C=C4)Br |
| Synonym | kenpaullone,9-bromopaullone,9-bromo-7,12-dihydroindolo 3,2-d 1 benzazepin-6 5h-one,indolo 3,2-d 1 benzazepin-6 5h-one,9-bromo-7,12-dihydro,9-bromo-7,12-dihydro-indolo 3,2-d 1 benzazepin-6 5h-one,9-bromo-7,12-dihydro-5h-indolo 3,2-d 1 benzazepin-6-one,9-bromo-7,12-dihydro-indolo-3,2-d-1 benzazepin-6 5h-one,9-bromo-7,12-dihydrobenzo 2,3 azepino 4,5-b indol-6 5h-one,indolo 3,2-d 1 benzazepin-6 5h-one, 9-bromo-7,12-dihydro |
| IUPAC Name | 9-bromo-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one |
| InChI Key | QQUXFYAWXPMDOE-UHFFFAOYSA-N |
| Molecular Formula | C16H11BrN2O |
7,8-Dimethoxy-1H-benzo[d]azepin-2(3H)-one 98.0+%, TCI America™
CAS: 73942-87-7 Molecular Formula: C12H13NO3 Molecular Weight (g/mol): 219.24 MDL Number: MFCD02091565 InChI Key: CPNZASIAJKSBBH-UHFFFAOYSA-N Synonym: 1,3-Dihydro-7,8-dimethoxy-2H-3-benzazepin-2-one PubChem CID: 1482373 IUPAC Name: 7,8-dimethoxy-1,3-dihydro-3-benzazepin-2-one SMILES: COC1=C(C=C2C=CNC(=O)CC2=C1)OC
| PubChem CID | 1482373 |
|---|---|
| CAS | 73942-87-7 |
| Molecular Weight (g/mol) | 219.24 |
| MDL Number | MFCD02091565 |
| SMILES | COC1=C(C=C2C=CNC(=O)CC2=C1)OC |
| Synonym | 1,3-Dihydro-7,8-dimethoxy-2H-3-benzazepin-2-one |
| IUPAC Name | 7,8-dimethoxy-1,3-dihydro-3-benzazepin-2-one |
| InChI Key | CPNZASIAJKSBBH-UHFFFAOYSA-N |
| Molecular Formula | C12H13NO3 |
(11bS)-2,6-Bis[bis[3,5-bis(trifluoromethyl)phenyl]hydroxymethyl]-3,5-dihydrospiro[4H-dinaphth[2,1-c:1',2'-e] 97+%, TCI America™
CAS: 1197922-04-5 Molecular Formula: C60H36BrF24NO3 Molecular Weight (g/mol): 1354.818 InChI Key: UVHZWWMJSAGSJH-UHFFFAOYSA-M PubChem CID: 44597114 SMILES: C1COCC[N+]12CC3=C(C4=CC=CC=C4C=C3C(C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F)(C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F)O)C7=C(C2)C(=CC8=CC=CC=C87)C(C9=CC(=CC(=C9)C(F)(F)F)C(F)(F)F)(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O.[Br-]
| PubChem CID | 44597114 |
|---|---|
| CAS | 1197922-04-5 |
| Molecular Weight (g/mol) | 1354.818 |
| SMILES | C1COCC[N+]12CC3=C(C4=CC=CC=C4C=C3C(C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F)(C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F)O)C7=C(C2)C(=CC8=CC=CC=C87)C(C9=CC(=CC(=C9)C(F)(F)F)C(F)(F)F)(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O.[Br-] |
| InChI Key | UVHZWWMJSAGSJH-UHFFFAOYSA-M |
| Molecular Formula | C60H36BrF24NO3 |
Ivabradine Hydrochloride 98.0+%, TCI America™
CAS: 148849-67-6 Molecular Formula: C27H37ClN2O5 Molecular Weight (g/mol): 505.052 MDL Number: MFCD00929899 InChI Key: HLUKNZUABFFNQS-ZMBIFBSDSA-N PubChem CID: 3045381 ChEBI: CHEBI:85969 IUPAC Name: 3-[3-[[(7S)-3,4-dimethoxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl-methylamino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one;hydrochloride SMILES: CN(CCCN1CCC2=CC(=C(C=C2CC1=O)OC)OC)CC3CC4=CC(=C(C=C34)OC)OC.Cl
| PubChem CID | 3045381 |
|---|---|
| CAS | 148849-67-6 |
| Molecular Weight (g/mol) | 505.052 |
| ChEBI | CHEBI:85969 |
| MDL Number | MFCD00929899 |
| SMILES | CN(CCCN1CCC2=CC(=C(C=C2CC1=O)OC)OC)CC3CC4=CC(=C(C=C34)OC)OC.Cl |
| IUPAC Name | 3-[3-[[(7S)-3,4-dimethoxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl-methylamino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one;hydrochloride |
| InChI Key | HLUKNZUABFFNQS-ZMBIFBSDSA-N |
| Molecular Formula | C27H37ClN2O5 |
(S)-(-)-1-Methyl-2-(1-piperidinomethyl)pyrrolidine 97.0+%, TCI America™
CAS: 84466-85-3 Molecular Formula: C11H22N2 Molecular Weight (g/mol): 182.311 MDL Number: MFCD00077821 InChI Key: VCVPSRADUBPOKJ-NSHDSACASA-N Synonym: (S)-(-)-1-[(1-Methyl-2-pyrrolidinyl)methyl]piperidine PubChem CID: 11126915 IUPAC Name: 1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]piperidine SMILES: CN1CCCC1CN2CCCCC2
| PubChem CID | 11126915 |
|---|---|
| CAS | 84466-85-3 |
| Molecular Weight (g/mol) | 182.311 |
| MDL Number | MFCD00077821 |
| SMILES | CN1CCCC1CN2CCCCC2 |
| Synonym | (S)-(-)-1-[(1-Methyl-2-pyrrolidinyl)methyl]piperidine |
| IUPAC Name | 1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]piperidine |
| InChI Key | VCVPSRADUBPOKJ-NSHDSACASA-N |
| Molecular Formula | C11H22N2 |
2-Methylthiophene 97.0+%, TCI America™
CAS: 554-14-3 Molecular Formula: C5H6S Molecular Weight (g/mol): 98.163 MDL Number: MFCD00005451 InChI Key: XQQBUAPQHNYYRS-UHFFFAOYSA-N Synonym: thiophene, 2-methyl,2-methyl thiophene,thiophene, methyl,alpha-methylthiophene,ccris 2936,2-methyl-thiophene,unii-7115jap77a,2-methylthiacyclopentadiene,a-thiotolene,pubchem5204 PubChem CID: 11126 IUPAC Name: 2-methylthiophene SMILES: CC1=CC=CS1
| PubChem CID | 11126 |
|---|---|
| CAS | 554-14-3 |
| Molecular Weight (g/mol) | 98.163 |
| MDL Number | MFCD00005451 |
| SMILES | CC1=CC=CS1 |
| Synonym | thiophene, 2-methyl,2-methyl thiophene,thiophene, methyl,alpha-methylthiophene,ccris 2936,2-methyl-thiophene,unii-7115jap77a,2-methylthiacyclopentadiene,a-thiotolene,pubchem5204 |
| IUPAC Name | 2-methylthiophene |
| InChI Key | XQQBUAPQHNYYRS-UHFFFAOYSA-N |
| Molecular Formula | C5H6S |
2-Propylimidazole 95.0+%, TCI America™
CAS: 50995-95-4 Molecular Formula: C6H10N2 Molecular Weight (g/mol): 110.16 MDL Number: MFCD00059158 InChI Key: MKBBSFGKFMQPPC-UHFFFAOYSA-N PubChem CID: 162617 IUPAC Name: 2-propyl-1H-imidazole SMILES: CCCC1=NC=CN1
| PubChem CID | 162617 |
|---|---|
| CAS | 50995-95-4 |
| Molecular Weight (g/mol) | 110.16 |
| MDL Number | MFCD00059158 |
| SMILES | CCCC1=NC=CN1 |
| IUPAC Name | 2-propyl-1H-imidazole |
| InChI Key | MKBBSFGKFMQPPC-UHFFFAOYSA-N |
| Molecular Formula | C6H10N2 |
2-Ethylthiazole 98.0+%, TCI America™
CAS: 15679-09-1 Molecular Formula: C5H7NS Molecular Weight (g/mol): 113.18 MDL Number: MFCD00085193 InChI Key: CGZDWVZMOMDGBN-UHFFFAOYSA-N PubChem CID: 85053 IUPAC Name: 2-ethyl-1,3-thiazole SMILES: CCC1=NC=CS1
| PubChem CID | 85053 |
|---|---|
| CAS | 15679-09-1 |
| Molecular Weight (g/mol) | 113.18 |
| MDL Number | MFCD00085193 |
| SMILES | CCC1=NC=CS1 |
| IUPAC Name | 2-ethyl-1,3-thiazole |
| InChI Key | CGZDWVZMOMDGBN-UHFFFAOYSA-N |
| Molecular Formula | C5H7NS |
Pyrazole 98.0+%, TCI America™
CAS: 288-13-1 Molecular Formula: C3H4N2 Molecular Weight (g/mol): 68.079 MDL Number: MFCD00005234 InChI Key: WTKZEGDFNFYCGP-UHFFFAOYSA-N Synonym: pyrazole,1,2-diazole,1h-pyrazol,pyrazol,unii-3qd5kjz7zj,3qd5kjz7zj,diazole,hpz,1-h-pyrazole,pyrazol#1 PubChem CID: 1048 ChEBI: CHEBI:17241 IUPAC Name: 1H-pyrazole SMILES: C1=CNN=C1
| PubChem CID | 1048 |
|---|---|
| CAS | 288-13-1 |
| Molecular Weight (g/mol) | 68.079 |
| ChEBI | CHEBI:17241 |
| MDL Number | MFCD00005234 |
| SMILES | C1=CNN=C1 |
| Synonym | pyrazole,1,2-diazole,1h-pyrazol,pyrazol,unii-3qd5kjz7zj,3qd5kjz7zj,diazole,hpz,1-h-pyrazole,pyrazol#1 |
| IUPAC Name | 1H-pyrazole |
| InChI Key | WTKZEGDFNFYCGP-UHFFFAOYSA-N |
| Molecular Formula | C3H4N2 |
Ethyl Pyrazole-3-carboxylate 98.0+%, TCI America™
CAS: 5932-27-4 Molecular Formula: C6H8N2O2 Molecular Weight (g/mol): 140.142 MDL Number: MFCD00159643 InChI Key: MSPOSRHJXMILNK-UHFFFAOYSA-N Synonym: Pyrazole-3-carboxylic Acid Ethyl Ester PubChem CID: 7147518 IUPAC Name: ethyl 1H-pyrazole-5-carboxylate SMILES: CCOC(=O)C1=CC=NN1
| PubChem CID | 7147518 |
|---|---|
| CAS | 5932-27-4 |
| Molecular Weight (g/mol) | 140.142 |
| MDL Number | MFCD00159643 |
| SMILES | CCOC(=O)C1=CC=NN1 |
| Synonym | Pyrazole-3-carboxylic Acid Ethyl Ester |
| IUPAC Name | ethyl 1H-pyrazole-5-carboxylate |
| InChI Key | MSPOSRHJXMILNK-UHFFFAOYSA-N |
| Molecular Formula | C6H8N2O2 |