Organoheterocyclic compounds
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6-Nitroindazole 98.0+%, TCI America™
CAS: 7597-18-4 Molecular Formula: C7H5N3O2 Molecular Weight (g/mol): 163.136 MDL Number: MFCD00005695 InChI Key: ORZRMRUXSPNQQL-UHFFFAOYSA-N Synonym: 6-nitroindazole,6-nitro-2h-indazole,6-nitroisoindazole,1h-indazole, 6-nitro,2h-indazole, 6-nitro,indazole,6-nitro,ccris 3263,chembl54277,6ni,6-nitro-indazol PubChem CID: 24239 IUPAC Name: 6-nitro-1H-indazole SMILES: C1=CC2=C(C=C1[N+](=O)[O-])NN=C2
| PubChem CID | 24239 |
|---|---|
| CAS | 7597-18-4 |
| Molecular Weight (g/mol) | 163.136 |
| MDL Number | MFCD00005695 |
| SMILES | C1=CC2=C(C=C1[N+](=O)[O-])NN=C2 |
| Synonym | 6-nitroindazole,6-nitro-2h-indazole,6-nitroisoindazole,1h-indazole, 6-nitro,2h-indazole, 6-nitro,indazole,6-nitro,ccris 3263,chembl54277,6ni,6-nitro-indazol |
| IUPAC Name | 6-nitro-1H-indazole |
| InChI Key | ORZRMRUXSPNQQL-UHFFFAOYSA-N |
| Molecular Formula | C7H5N3O2 |
Neocuproine Hydrochloride Monohydrate 99.0+%, TCI America™
CAS: 303136-82-5 Molecular Formula: C14H12N2 Molecular Weight (g/mol): 208.26 MDL Number: MFCD00150062 InChI Key: IYRGXJIJGHOCFS-UHFFFAOYSA-N Synonym: 2,9-dimethyl-1,10-phenanthroline hydrochloride monohydrate,2,9-dimethyl-1,10-phenanthroline hydrochloride hydrate,neocuproine hydrochloride monohydrate,neocuproine hydrate hydrochloride,c14h12n2.hcl.h2o,2,9-dimethyl-1,10-phenanthroline hydrate hydrochloride,neocuproine hydrochloride hydrate,neocuproinehydrochloridemonohydrate,neocuproine hydrochloride hydrate 98,neocuproine hydrochloride trihydrate, 98 % PubChem CID: 2723838 IUPAC Name: 2,9-dimethyl-1,10-phenanthroline SMILES: CC1=CC=C2C=CC3=CC=C(C)N=C3C2=N1
| PubChem CID | 2723838 |
|---|---|
| CAS | 303136-82-5 |
| Molecular Weight (g/mol) | 208.26 |
| MDL Number | MFCD00150062 |
| SMILES | CC1=CC=C2C=CC3=CC=C(C)N=C3C2=N1 |
| Synonym | 2,9-dimethyl-1,10-phenanthroline hydrochloride monohydrate,2,9-dimethyl-1,10-phenanthroline hydrochloride hydrate,neocuproine hydrochloride monohydrate,neocuproine hydrate hydrochloride,c14h12n2.hcl.h2o,2,9-dimethyl-1,10-phenanthroline hydrate hydrochloride,neocuproine hydrochloride hydrate,neocuproinehydrochloridemonohydrate,neocuproine hydrochloride hydrate 98,neocuproine hydrochloride trihydrate, 98 % |
| IUPAC Name | 2,9-dimethyl-1,10-phenanthroline |
| InChI Key | IYRGXJIJGHOCFS-UHFFFAOYSA-N |
| Molecular Formula | C14H12N2 |
5,6,7,8-Tetrahydroisoquinoline 98.0+%, TCI America™
CAS: 36556-06-6 Molecular Formula: C9H11N Molecular Weight (g/mol): 133.194 MDL Number: MFCD00012168 InChI Key: HTMGQIXFZMZZKD-UHFFFAOYSA-N Synonym: 5,6,7,8-tetrahydro-isoquinoline,isoquinoline, 5,6,7,8-tetrahydro,acmc-1ct7z,5,6,7,8-tetra-hydro-isoquinoline,5,6,7,8-tetrahydroisoquinoline PubChem CID: 119010 IUPAC Name: 5,6,7,8-tetrahydroisoquinoline SMILES: C1CCC2=C(C1)C=CN=C2
| PubChem CID | 119010 |
|---|---|
| CAS | 36556-06-6 |
| Molecular Weight (g/mol) | 133.194 |
| MDL Number | MFCD00012168 |
| SMILES | C1CCC2=C(C1)C=CN=C2 |
| Synonym | 5,6,7,8-tetrahydro-isoquinoline,isoquinoline, 5,6,7,8-tetrahydro,acmc-1ct7z,5,6,7,8-tetra-hydro-isoquinoline,5,6,7,8-tetrahydroisoquinoline |
| IUPAC Name | 5,6,7,8-tetrahydroisoquinoline |
| InChI Key | HTMGQIXFZMZZKD-UHFFFAOYSA-N |
| Molecular Formula | C9H11N |
3-Piperidinecarboxylic Acid 98.0+%, TCI America™
CAS: 498-95-3 Molecular Formula: C6H11NO2 Molecular Weight (g/mol): 129.16 MDL Number: MFCD00005992 MFCD01630787 InChI Key: XJLSEXAGTJCILF-UHFFFAOYSA-N Synonym: nipecotic acid,3-piperidinecarboxylic acid,hexahydronicotinic acid,+/--nipecotic acid,h-dl-nip-oh,+/--3-piperidine carboxylic acid,dl-piperidine-3-carboxylic acid,nipecotic,h-nip-oh,3-carboxypiperidine PubChem CID: 4498 ChEBI: CHEBI:116931 IUPAC Name: piperidine-3-carboxylic acid SMILES: OC(=O)C1CCCNC1
| PubChem CID | 4498 |
|---|---|
| CAS | 498-95-3 |
| Molecular Weight (g/mol) | 129.16 |
| ChEBI | CHEBI:116931 |
| MDL Number | MFCD00005992 MFCD01630787 |
| SMILES | OC(=O)C1CCCNC1 |
| Synonym | nipecotic acid,3-piperidinecarboxylic acid,hexahydronicotinic acid,+/--nipecotic acid,h-dl-nip-oh,+/--3-piperidine carboxylic acid,dl-piperidine-3-carboxylic acid,nipecotic,h-nip-oh,3-carboxypiperidine |
| IUPAC Name | piperidine-3-carboxylic acid |
| InChI Key | XJLSEXAGTJCILF-UHFFFAOYSA-N |
| Molecular Formula | C6H11NO2 |
3-Nitro-4-quinolinol 98.0+%, TCI America™
CAS: 50332-66-6 Molecular Formula: C9H6N2O3 Molecular Weight (g/mol): 190.158 MDL Number: MFCD00277722 InChI Key: ZWISCKSGNCMAQO-UHFFFAOYSA-N Synonym: 4-Hydroxy-3-nitroquinoline PubChem CID: 316988 IUPAC Name: 3-nitro-1H-quinolin-4-one SMILES: C1=CC=C2C(=C1)C(=O)C(=CN2)[N+](=O)[O-]
| PubChem CID | 316988 |
|---|---|
| CAS | 50332-66-6 |
| Molecular Weight (g/mol) | 190.158 |
| MDL Number | MFCD00277722 |
| SMILES | C1=CC=C2C(=C1)C(=O)C(=CN2)[N+](=O)[O-] |
| Synonym | 4-Hydroxy-3-nitroquinoline |
| IUPAC Name | 3-nitro-1H-quinolin-4-one |
| InChI Key | ZWISCKSGNCMAQO-UHFFFAOYSA-N |
| Molecular Formula | C9H6N2O3 |
1,2-Epoxycyclohexane 98.0+%, TCI America™
CAS: 286-20-4 Molecular Formula: C6H10O Molecular Weight (g/mol): 98.145 MDL Number: MFCD00005162 InChI Key: ZWAJLVLEBYIOTI-UHFFFAOYSA-N Synonym: cyclohexene oxide,7-oxabicyclo 4.1.0 heptane,1,2-epoxycyclohexane,cyclohexene epoxide,cyclohexylene oxide,tetramethyleneoxirane,cyclohexene 1-oxide,epoxycyclohexane,cyclohexeneoxide,1,2-cyclohexene oxide PubChem CID: 9246 IUPAC Name: 7-oxabicyclo[4.1.0]heptane SMILES: C1CCC2C(C1)O2
| PubChem CID | 9246 |
|---|---|
| CAS | 286-20-4 |
| Molecular Weight (g/mol) | 98.145 |
| MDL Number | MFCD00005162 |
| SMILES | C1CCC2C(C1)O2 |
| Synonym | cyclohexene oxide,7-oxabicyclo 4.1.0 heptane,1,2-epoxycyclohexane,cyclohexene epoxide,cyclohexylene oxide,tetramethyleneoxirane,cyclohexene 1-oxide,epoxycyclohexane,cyclohexeneoxide,1,2-cyclohexene oxide |
| IUPAC Name | 7-oxabicyclo[4.1.0]heptane |
| InChI Key | ZWAJLVLEBYIOTI-UHFFFAOYSA-N |
| Molecular Formula | C6H10O |
1,10-Phenanthroline-5,6-dione 98.0+%, TCI America™
CAS: 27318-90-7 Molecular Formula: C12H6N2O2 Molecular Weight (g/mol): 210.19 MDL Number: MFCD00014473 InChI Key: KCALAFIVPCAXJI-UHFFFAOYSA-N Synonym: 1,10 phenanthroline-5,6-dione,1 10-phenanthroline-5 6-dione 97,pyridino 3,2-h quinoline-5,6-dione,phen-5,6-dione,pubchem16755,acmc-209gwd,d0jh7c,phox31,ksc204s8l,1,2-dione-based compound, 17 PubChem CID: 72810 IUPAC Name: 5,6-dihydro-1,10-phenanthroline-5,6-dione SMILES: O=C1C(=O)C2=CC=CN=C2C2=NC=CC=C12
| PubChem CID | 72810 |
|---|---|
| CAS | 27318-90-7 |
| Molecular Weight (g/mol) | 210.19 |
| MDL Number | MFCD00014473 |
| SMILES | O=C1C(=O)C2=CC=CN=C2C2=NC=CC=C12 |
| Synonym | 1,10 phenanthroline-5,6-dione,1 10-phenanthroline-5 6-dione 97,pyridino 3,2-h quinoline-5,6-dione,phen-5,6-dione,pubchem16755,acmc-209gwd,d0jh7c,phox31,ksc204s8l,1,2-dione-based compound, 17 |
| IUPAC Name | 5,6-dihydro-1,10-phenanthroline-5,6-dione |
| InChI Key | KCALAFIVPCAXJI-UHFFFAOYSA-N |
| Molecular Formula | C12H6N2O2 |
Ziprasidone Hydrochloride Monohydrate 98.0+%, TCI America™
CAS: 138982-67-9 Molecular Formula: C21H24Cl2N4O2S Molecular Weight (g/mol): 467.409 MDL Number: MFCD00921885 InChI Key: ZCBZSCBNOOIHFP-UHFFFAOYSA-N Synonym: ziprasidone hydrochloride monohydrate,ziprasidone hydrochloride,geodon,5-2-4-benzo d isothiazol-3-yl piperazin-1-yl ethyl-6-chloroindolin-2-one hydrochloride hydrate,unii-216x081oru,ziprasidone hcl hydrate,ziprasidone hydrochloride usan:usp,zeldox,ziprasidone hydrochloride usan PubChem CID: 60853 ChEBI: CHEBI:32314 IUPAC Name: 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-1,3-dihydroindol-2-one;hydrate;hydrochloride SMILES: C1CN(CCN1CCC2=C(C=C3C(=C2)CC(=O)N3)Cl)C4=NSC5=CC=CC=C54.O.Cl
| PubChem CID | 60853 |
|---|---|
| CAS | 138982-67-9 |
| Molecular Weight (g/mol) | 467.409 |
| ChEBI | CHEBI:32314 |
| MDL Number | MFCD00921885 |
| SMILES | C1CN(CCN1CCC2=C(C=C3C(=C2)CC(=O)N3)Cl)C4=NSC5=CC=CC=C54.O.Cl |
| Synonym | ziprasidone hydrochloride monohydrate,ziprasidone hydrochloride,geodon,5-2-4-benzo d isothiazol-3-yl piperazin-1-yl ethyl-6-chloroindolin-2-one hydrochloride hydrate,unii-216x081oru,ziprasidone hcl hydrate,ziprasidone hydrochloride usan:usp,zeldox,ziprasidone hydrochloride usan |
| IUPAC Name | 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-1,3-dihydroindol-2-one;hydrate;hydrochloride |
| InChI Key | ZCBZSCBNOOIHFP-UHFFFAOYSA-N |
| Molecular Formula | C21H24Cl2N4O2S |
3-Nitro-1,2,4-triazole 98.0+%, TCI America™
CAS: 24807-55-4 Molecular Formula: C2H2N4O2 Molecular Weight (g/mol): 114.064 MDL Number: MFCD00009749 InChI Key: KUEFXPHXHHANKS-UHFFFAOYSA-N Synonym: 3-nitro-1,2,4-triazole,3-nitro-1h-1,2,4-triazole,3-nitro-4h-1,2,4-triazole,1h-1,2,4-triazole, 3-nitro,s-triazole, 3-nitro,5-nitro-1h-1,2,4 triazole,3-nitro-1,2,4 triazole,zlchem 554,3-nitro-1,4-triazole PubChem CID: 90614 IUPAC Name: 5-nitro-1H-1,2,4-triazole SMILES: C1=NNC(=N1)[N+](=O)[O-]
| PubChem CID | 90614 |
|---|---|
| CAS | 24807-55-4 |
| Molecular Weight (g/mol) | 114.064 |
| MDL Number | MFCD00009749 |
| SMILES | C1=NNC(=N1)[N+](=O)[O-] |
| Synonym | 3-nitro-1,2,4-triazole,3-nitro-1h-1,2,4-triazole,3-nitro-4h-1,2,4-triazole,1h-1,2,4-triazole, 3-nitro,s-triazole, 3-nitro,5-nitro-1h-1,2,4 triazole,3-nitro-1,2,4 triazole,zlchem 554,3-nitro-1,4-triazole |
| IUPAC Name | 5-nitro-1H-1,2,4-triazole |
| InChI Key | KUEFXPHXHHANKS-UHFFFAOYSA-N |
| Molecular Formula | C2H2N4O2 |
o-Cresolphthalein, TCI America™
CAS: 596-27-0 Molecular Formula: C22H18O4 Molecular Weight (g/mol): 346.38 MDL Number: MFCD00005912 InChI Key: CPBJMKMKNCRKQB-UHFFFAOYSA-N Synonym: o-cresolphthalein,cresolphthalein,3,3'-dimethylphenolphthalein,1 3h-isobenzofuranone, 3,3-bis 4-hydroxy-3-methylphenyl,3',3-dimethylphenolphthalein,o-cresolphalein,3,3-bis 4-hydroxy-3-methylphenyl isobenzofuran-1 3h-one,unii-xou2d9049g,phenolphthalein, 3',3-dimethyl,3,3-bis 4-hydroxy-m-tolyl phthalide PubChem CID: 68995 IUPAC Name: 3,3-bis(4-hydroxy-3-methylphenyl)-1,3-dihydro-2-benzofuran-1-one SMILES: CC1=CC(=CC=C1O)C1(OC(=O)C2=CC=CC=C12)C1=CC=C(O)C(C)=C1
| PubChem CID | 68995 |
|---|---|
| CAS | 596-27-0 |
| Molecular Weight (g/mol) | 346.38 |
| MDL Number | MFCD00005912 |
| SMILES | CC1=CC(=CC=C1O)C1(OC(=O)C2=CC=CC=C12)C1=CC=C(O)C(C)=C1 |
| Synonym | o-cresolphthalein,cresolphthalein,3,3'-dimethylphenolphthalein,1 3h-isobenzofuranone, 3,3-bis 4-hydroxy-3-methylphenyl,3',3-dimethylphenolphthalein,o-cresolphalein,3,3-bis 4-hydroxy-3-methylphenyl isobenzofuran-1 3h-one,unii-xou2d9049g,phenolphthalein, 3',3-dimethyl,3,3-bis 4-hydroxy-m-tolyl phthalide |
| IUPAC Name | 3,3-bis(4-hydroxy-3-methylphenyl)-1,3-dihydro-2-benzofuran-1-one |
| InChI Key | CPBJMKMKNCRKQB-UHFFFAOYSA-N |
| Molecular Formula | C22H18O4 |
Diglycidyl 1,2-Cyclohexanedicarboxylate (so called), TCI America™
CAS: 5493-45-8 Molecular Formula: C14H20O6 Molecular Weight (g/mol): 284.308 MDL Number: MFCD00128914 InChI Key: XFUOBHWPTSIEOV-UHFFFAOYSA-N Synonym: 1,2-Cyclohexanedicarboxylic Acid Diglycidyl Ester PubChem CID: 21660 IUPAC Name: bis(oxiran-2-ylmethyl) cyclohexane-1,2-dicarboxylate SMILES: C1CCC(C(C1)C(=O)OCC2CO2)C(=O)OCC3CO3
| PubChem CID | 21660 |
|---|---|
| CAS | 5493-45-8 |
| Molecular Weight (g/mol) | 284.308 |
| MDL Number | MFCD00128914 |
| SMILES | C1CCC(C(C1)C(=O)OCC2CO2)C(=O)OCC3CO3 |
| Synonym | 1,2-Cyclohexanedicarboxylic Acid Diglycidyl Ester |
| IUPAC Name | bis(oxiran-2-ylmethyl) cyclohexane-1,2-dicarboxylate |
| InChI Key | XFUOBHWPTSIEOV-UHFFFAOYSA-N |
| Molecular Formula | C14H20O6 |
7-Chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic Acid 98.0+%, TCI America™
CAS: 100361-18-0 Molecular Formula: C12H8ClFN2O3 Molecular Weight (g/mol): 282.655 MDL Number: MFCD08458865 InChI Key: OXNZWNNMJBOZQO-UHFFFAOYSA-N PubChem CID: 11055142 IUPAC Name: 7-chloro-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid SMILES: C1CC1N2C=C(C(=O)C3=CC(=C(N=C32)Cl)F)C(=O)O
| PubChem CID | 11055142 |
|---|---|
| CAS | 100361-18-0 |
| Molecular Weight (g/mol) | 282.655 |
| MDL Number | MFCD08458865 |
| SMILES | C1CC1N2C=C(C(=O)C3=CC(=C(N=C32)Cl)F)C(=O)O |
| IUPAC Name | 7-chloro-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid |
| InChI Key | OXNZWNNMJBOZQO-UHFFFAOYSA-N |
| Molecular Formula | C12H8ClFN2O3 |
2-Thioxanthine 80.0+%, TCI America™
CAS: 2487-40-3 Molecular Formula: C5H4N4OS Molecular Weight (g/mol): 168.174 MDL Number: MFCD00031505 InChI Key: XNHFAGRBSMMFKL-UHFFFAOYSA-N Synonym: 2-thioxanthine,6-hydroxy-2-mercaptopurine,2-mercapto-9h-purin-6-ol,2-thioxanthene,2-mercapto-6-hydroxypurine,2-thio-6-oxypurine,6-hydroxypurine-2-thiol,2-thioxo-2,3-dihydro-1h-purin-6 7h-one,xanthine, 2-thio,6h-purin-6-one, 1,2,3,7-tetrahydro-2-thioxo PubChem CID: 1268185 IUPAC Name: 2-sulfanylidene-3,7-dihydropurin-6-one SMILES: C1=NC2=C(N1)C(=O)NC(=S)N2
| PubChem CID | 1268185 |
|---|---|
| CAS | 2487-40-3 |
| Molecular Weight (g/mol) | 168.174 |
| MDL Number | MFCD00031505 |
| SMILES | C1=NC2=C(N1)C(=O)NC(=S)N2 |
| Synonym | 2-thioxanthine,6-hydroxy-2-mercaptopurine,2-mercapto-9h-purin-6-ol,2-thioxanthene,2-mercapto-6-hydroxypurine,2-thio-6-oxypurine,6-hydroxypurine-2-thiol,2-thioxo-2,3-dihydro-1h-purin-6 7h-one,xanthine, 2-thio,6h-purin-6-one, 1,2,3,7-tetrahydro-2-thioxo |
| IUPAC Name | 2-sulfanylidene-3,7-dihydropurin-6-one |
| InChI Key | XNHFAGRBSMMFKL-UHFFFAOYSA-N |
| Molecular Formula | C5H4N4OS |
Trimethylene Sulfide 98.0+%, TCI America™
CAS: 287-27-4 Molecular Formula: C3H6S Molecular Weight (g/mol): 74.14 MDL Number: MFCD00042751 InChI Key: XSROQCDVUIHRSI-UHFFFAOYSA-N Synonym: trimethylene sulfide,thiacyclobutane,propane, 1,3-epithio,unii-1o7c19qqdb,1o7c19qqdb,1,3-epithio propane,acmc-209h4c,trimethylene sulfide 8ci,trimethylene sulfide gc,inchi=1/c3h6s/c1-2-4-3-1/h1-3h PubChem CID: 9251 ChEBI: CHEBI:87565 IUPAC Name: thietane SMILES: C1CSC1
| PubChem CID | 9251 |
|---|---|
| CAS | 287-27-4 |
| Molecular Weight (g/mol) | 74.14 |
| ChEBI | CHEBI:87565 |
| MDL Number | MFCD00042751 |
| SMILES | C1CSC1 |
| Synonym | trimethylene sulfide,thiacyclobutane,propane, 1,3-epithio,unii-1o7c19qqdb,1o7c19qqdb,1,3-epithio propane,acmc-209h4c,trimethylene sulfide 8ci,trimethylene sulfide gc,inchi=1/c3h6s/c1-2-4-3-1/h1-3h |
| IUPAC Name | thietane |
| InChI Key | XSROQCDVUIHRSI-UHFFFAOYSA-N |
| Molecular Formula | C3H6S |
Thymine 98.0+%, TCI America™
CAS: 65-71-4 Molecular Formula: C5H6N2O2 Molecular Weight (g/mol): 126.115 MDL Number: MFCD00006026 InChI Key: RWQNBRDOKXIBIV-UHFFFAOYSA-N Synonym: thymine,5-methyluracil,thymin,2,4-dihydroxy-5-methylpyrimidine,thymine anhydrate,2,4 1h,3h-pyrimidinedione, 5-methyl,5-methylpyrimidine-2,4 1h,3h-dione,5-methyl-2,4 1h,3h-pyrimidinedione,thymin purine base,5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione PubChem CID: 1135 ChEBI: CHEBI:17821 IUPAC Name: 5-methyl-1H-pyrimidine-2,4-dione SMILES: CC1=CNC(=O)NC1=O
| PubChem CID | 1135 |
|---|---|
| CAS | 65-71-4 |
| Molecular Weight (g/mol) | 126.115 |
| ChEBI | CHEBI:17821 |
| MDL Number | MFCD00006026 |
| SMILES | CC1=CNC(=O)NC1=O |
| Synonym | thymine,5-methyluracil,thymin,2,4-dihydroxy-5-methylpyrimidine,thymine anhydrate,2,4 1h,3h-pyrimidinedione, 5-methyl,5-methylpyrimidine-2,4 1h,3h-dione,5-methyl-2,4 1h,3h-pyrimidinedione,thymin purine base,5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione |
| IUPAC Name | 5-methyl-1H-pyrimidine-2,4-dione |
| InChI Key | RWQNBRDOKXIBIV-UHFFFAOYSA-N |
| Molecular Formula | C5H6N2O2 |