Organoheterocyclic compounds
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2-Amino-6-bromopurine, 98%
CAS: 82499-03-4 Molecular Formula: C5H4BrN5 Molecular Weight (g/mol): 214.026 MDL Number: MFCD01321309 InChI Key: HPGBGNVPUMCKPM-UHFFFAOYSA-N Synonym: 2-amino-6-bromopurine,6-bromo-9h-purin-2-amine,1h-purin-2-amine, 6-bromo,6-bromoguanine,d2-amino-6-bromopurine,6-bromopurine-2-ylamine,purine, 2-amino-6-bromo,6-bromo-9h-purin-2-ylamine,9h-purin-2-amine,6-bromo PubChem CID: 6101139 IUPAC Name: 6-bromo-7H-purin-2-amine SMILES: C1=NC2=C(N1)C(=NC(=N2)N)Br
| PubChem CID | 6101139 |
|---|---|
| CAS | 82499-03-4 |
| Molecular Weight (g/mol) | 214.026 |
| MDL Number | MFCD01321309 |
| SMILES | C1=NC2=C(N1)C(=NC(=N2)N)Br |
| Synonym | 2-amino-6-bromopurine,6-bromo-9h-purin-2-amine,1h-purin-2-amine, 6-bromo,6-bromoguanine,d2-amino-6-bromopurine,6-bromopurine-2-ylamine,purine, 2-amino-6-bromo,6-bromo-9h-purin-2-ylamine,9h-purin-2-amine,6-bromo |
| IUPAC Name | 6-bromo-7H-purin-2-amine |
| InChI Key | HPGBGNVPUMCKPM-UHFFFAOYSA-N |
| Molecular Formula | C5H4BrN5 |
2-Bromothiazole-5-carboxylic acid, 97%
CAS: 54045-76-0 Molecular Formula: C4H2BrNO2S Molecular Weight (g/mol): 208.029 MDL Number: MFCD04115730 InChI Key: BESGTWHUMYHYEQ-UHFFFAOYSA-N Synonym: 2-bromothiazole-5-carboxylic acid,2-bromo-5-thiazolecarboxylic acid,2-bromo-5-thiazolecarboxylicacid,2-bromo-thiazole-5-carboxylic acid,2-bromo-5-carboxythiazole,5-thiazolecarboxylic acid, 2-bromo,2-bromthiazol-5-carboxylic acid,pubchem15963,acmc-1ap3n,2-bromothiazole-5-carboxylic PubChem CID: 2763210 IUPAC Name: 2-bromo-1,3-thiazole-5-carboxylic acid SMILES: C1=C(SC(=N1)Br)C(=O)O
| PubChem CID | 2763210 |
|---|---|
| CAS | 54045-76-0 |
| Molecular Weight (g/mol) | 208.029 |
| MDL Number | MFCD04115730 |
| SMILES | C1=C(SC(=N1)Br)C(=O)O |
| Synonym | 2-bromothiazole-5-carboxylic acid,2-bromo-5-thiazolecarboxylic acid,2-bromo-5-thiazolecarboxylicacid,2-bromo-thiazole-5-carboxylic acid,2-bromo-5-carboxythiazole,5-thiazolecarboxylic acid, 2-bromo,2-bromthiazol-5-carboxylic acid,pubchem15963,acmc-1ap3n,2-bromothiazole-5-carboxylic |
| IUPAC Name | 2-bromo-1,3-thiazole-5-carboxylic acid |
| InChI Key | BESGTWHUMYHYEQ-UHFFFAOYSA-N |
| Molecular Formula | C4H2BrNO2S |
Methyl 6-aminonicotinate, 97%
CAS: 36052-24-1 Molecular Formula: C7H8N2O2 Molecular Weight (g/mol): 152.153 MDL Number: MFCD00797844 InChI Key: JACPDLJUQLKABC-UHFFFAOYSA-N Synonym: methyl 6-aminonicotinate,6-aminonicotinic acid methyl ester,6-amino-nicotinic acid methyl ester,methyl6-aminonicotinate,2-amino-5-methoxycarbonyl pyridine,methyl 2-amino-5-pyridinecarboxylate,3-pyridinecarboxylic acid, 6-amino-, methyl ester,methyl 2-aminopyridine-5-carboxylate,6-aminopyridine-3-carboxylic acid methyl ester PubChem CID: 737487 IUPAC Name: methyl 6-aminopyridine-3-carboxylate SMILES: COC(=O)C1=CN=C(C=C1)N
| PubChem CID | 737487 |
|---|---|
| CAS | 36052-24-1 |
| Molecular Weight (g/mol) | 152.153 |
| MDL Number | MFCD00797844 |
| SMILES | COC(=O)C1=CN=C(C=C1)N |
| Synonym | methyl 6-aminonicotinate,6-aminonicotinic acid methyl ester,6-amino-nicotinic acid methyl ester,methyl6-aminonicotinate,2-amino-5-methoxycarbonyl pyridine,methyl 2-amino-5-pyridinecarboxylate,3-pyridinecarboxylic acid, 6-amino-, methyl ester,methyl 2-aminopyridine-5-carboxylate,6-aminopyridine-3-carboxylic acid methyl ester |
| IUPAC Name | methyl 6-aminopyridine-3-carboxylate |
| InChI Key | JACPDLJUQLKABC-UHFFFAOYSA-N |
| Molecular Formula | C7H8N2O2 |
1,1'-(Azodicarbonyl)dipiperidine, 97%
CAS: 10465-81-3 Molecular Formula: C12H20N4O2 Molecular Weight (g/mol): 252.32 MDL Number: MFCD00010111 InChI Key: OQJBFFCUFALWQL-UHFFFAOYSA-N Synonym: 1,1'-azodicarbonyl-dipiperidine,1,1-azodicarbonyl dipiperidine,1,1'-azodicarbonyl dipiperidine,addp,diazene-1,2-diylbis piperidin-1-ylmethanone,azodicarboxylic acid dipiperidine,ne-n-piperidine-1-carbonylimino piperidine-1-carboxamide,1,1'-azodicarbonyl dipiperidine addp,piperidyl piperidylcarbonyl diazenyl ketone,e-diazene-1,2-diylbis piperidin-1-ylmethanone PubChem CID: 5702657 IUPAC Name: (NE)-N-(piperidine-1-carbonylimino)piperidine-1-carboxamide SMILES: O=C(N=NC(=O)N1CCCCC1)N1CCCCC1
| PubChem CID | 5702657 |
|---|---|
| CAS | 10465-81-3 |
| Molecular Weight (g/mol) | 252.32 |
| MDL Number | MFCD00010111 |
| SMILES | O=C(N=NC(=O)N1CCCCC1)N1CCCCC1 |
| Synonym | 1,1'-azodicarbonyl-dipiperidine,1,1-azodicarbonyl dipiperidine,1,1'-azodicarbonyl dipiperidine,addp,diazene-1,2-diylbis piperidin-1-ylmethanone,azodicarboxylic acid dipiperidine,ne-n-piperidine-1-carbonylimino piperidine-1-carboxamide,1,1'-azodicarbonyl dipiperidine addp,piperidyl piperidylcarbonyl diazenyl ketone,e-diazene-1,2-diylbis piperidin-1-ylmethanone |
| IUPAC Name | (NE)-N-(piperidine-1-carbonylimino)piperidine-1-carboxamide |
| InChI Key | OQJBFFCUFALWQL-UHFFFAOYSA-N |
| Molecular Formula | C12H20N4O2 |
1-O-Methyl-2-deoxy-D-ribose, 90%
CAS: 60134-26-1 Molecular Formula: C6H12O4 Molecular Weight (g/mol): 148.16 MDL Number: MFCD00134161 InChI Key: NVGJZDFWPSOTHM-XCSHRFQENA-N Synonym: 1-o-methyl-2-deoxy-d-ribose,2r,3s-2-hydroxymethyl-5-methoxytetrahydrofuran-3-ol,methyl 2-deoxy-d-ribofuranoside,2r,3s-2-hydroxymethyl-5-methoxyoxolan-3-ol,methyl 2-deoxyribofuranoside,methyl-2-deoxy-d-erythro pentofuranoside,d-erythro-pentofuranoside, methyl 2-deoxy,pubchem9694,methyl 2-deoxy-d-erythro-pentofuranoside PubChem CID: 10154128 IUPAC Name: (2R,3S)-2-(hydroxymethyl)-5-methoxyoxolan-3-ol SMILES: COC1C[C@H](O)[C@@H](CO)O1
| PubChem CID | 10154128 |
|---|---|
| CAS | 60134-26-1 |
| Molecular Weight (g/mol) | 148.16 |
| MDL Number | MFCD00134161 |
| SMILES | COC1C[C@H](O)[C@@H](CO)O1 |
| Synonym | 1-o-methyl-2-deoxy-d-ribose,2r,3s-2-hydroxymethyl-5-methoxytetrahydrofuran-3-ol,methyl 2-deoxy-d-ribofuranoside,2r,3s-2-hydroxymethyl-5-methoxyoxolan-3-ol,methyl 2-deoxyribofuranoside,methyl-2-deoxy-d-erythro pentofuranoside,d-erythro-pentofuranoside, methyl 2-deoxy,pubchem9694,methyl 2-deoxy-d-erythro-pentofuranoside |
| IUPAC Name | (2R,3S)-2-(hydroxymethyl)-5-methoxyoxolan-3-ol |
| InChI Key | NVGJZDFWPSOTHM-XCSHRFQENA-N |
| Molecular Formula | C6H12O4 |
4-Cyanopyridine, 98%
CAS: 100-48-1 Molecular Formula: C6H4N2 Molecular Weight (g/mol): 104.11 MDL Number: MFCD00006417 InChI Key: GPHQHTOMRSGBNZ-UHFFFAOYSA-N Synonym: 4-cyanopyridine,isonicotinonitrile,4-pyridinecarbonitrile,isonicotinic acid nitrile,4-pyridinenitrile,4-cyano pyridine,.gamma.-cyanopyridine,gamma-cyanopyridine,p-cyanopyridine,pubchem11155 PubChem CID: 7506 ChEBI: CHEBI:28020 IUPAC Name: pyridine-4-carbonitrile SMILES: C1=CN=CC=C1C#N
| PubChem CID | 7506 |
|---|---|
| CAS | 100-48-1 |
| Molecular Weight (g/mol) | 104.11 |
| ChEBI | CHEBI:28020 |
| MDL Number | MFCD00006417 |
| SMILES | C1=CN=CC=C1C#N |
| Synonym | 4-cyanopyridine,isonicotinonitrile,4-pyridinecarbonitrile,isonicotinic acid nitrile,4-pyridinenitrile,4-cyano pyridine,.gamma.-cyanopyridine,gamma-cyanopyridine,p-cyanopyridine,pubchem11155 |
| IUPAC Name | pyridine-4-carbonitrile |
| InChI Key | GPHQHTOMRSGBNZ-UHFFFAOYSA-N |
| Molecular Formula | C6H4N2 |
Butadiene sulfone, 98%
CAS: 77-79-2 Molecular Formula: C4H6O2S Molecular Weight (g/mol): 118.16 MDL Number: MFCD00005481 InChI Key: MBDNRNMVTZADMQ-UHFFFAOYSA-N Synonym: 3-sulfolene,butadiene sulfone,sulfolene,thiophene, 2,5-dihydro-, 1,1-dioxide,beta-sulfolene,2,5-dihydrothiophene sulfone,2,5-dihydrothiophene dioxide,2,5-dihydrothiophene-1,1-dioxide,sulfol-3-ene,ccris 569 PubChem CID: 6498 IUPAC Name: 2,5-dihydrothiophene 1,1-dioxide SMILES: C1C=CCS1(=O)=O
| PubChem CID | 6498 |
|---|---|
| CAS | 77-79-2 |
| Molecular Weight (g/mol) | 118.16 |
| MDL Number | MFCD00005481 |
| SMILES | C1C=CCS1(=O)=O |
| Synonym | 3-sulfolene,butadiene sulfone,sulfolene,thiophene, 2,5-dihydro-, 1,1-dioxide,beta-sulfolene,2,5-dihydrothiophene sulfone,2,5-dihydrothiophene dioxide,2,5-dihydrothiophene-1,1-dioxide,sulfol-3-ene,ccris 569 |
| IUPAC Name | 2,5-dihydrothiophene 1,1-dioxide |
| InChI Key | MBDNRNMVTZADMQ-UHFFFAOYSA-N |
| Molecular Formula | C4H6O2S |
Thermo Scientific Chemicals Metronidazole, 99%
CAS: 443-48-1 Molecular Formula: C6H9N3O3 Molecular Weight (g/mol): 171.16 MDL Number: MFCD00009750 InChI Key: VAOCPAMSLUNLGC-UHFFFAOYSA-N Synonym: metronidazole,metronidazol,flagyl,2-methyl-5-nitroimidazole-1-ethanol,anagiardil,trichazol,gineflavir,meronidal,metronidaz,novonidazol PubChem CID: 4173 ChEBI: CHEBI:6909 IUPAC Name: 2-(2-methyl-5-nitroimidazol-1-yl)ethanol SMILES: CC1=NC=C(N1CCO)[N+](=O)[O-]
| PubChem CID | 4173 |
|---|---|
| CAS | 443-48-1 |
| Molecular Weight (g/mol) | 171.16 |
| ChEBI | CHEBI:6909 |
| MDL Number | MFCD00009750 |
| SMILES | CC1=NC=C(N1CCO)[N+](=O)[O-] |
| Synonym | metronidazole,metronidazol,flagyl,2-methyl-5-nitroimidazole-1-ethanol,anagiardil,trichazol,gineflavir,meronidal,metronidaz,novonidazol |
| IUPAC Name | 2-(2-methyl-5-nitroimidazol-1-yl)ethanol |
| InChI Key | VAOCPAMSLUNLGC-UHFFFAOYSA-N |
| Molecular Formula | C6H9N3O3 |
2-Methyl-2-oxazoline, 99%
CAS: 1120-64-5 Molecular Formula: C4H7NO Molecular Weight (g/mol): 85.11 MDL Number: MFCD00005298 InChI Key: GUXJXWKCUUWCLX-UHFFFAOYSA-N Synonym: 2-methyl-2-oxazoline,2-methyloxazoline,2-methyl-4,5-dihydrooxazole,oxazole, 4,5-dihydro-2-methyl,2-methyl-2-oxazolin,2-methyl-1,3-oxazoline,2-oxazoline, 2-methyl,4,5-dihydro-2-methyl-1,3-oxazole,poly 2-methyl-2-oxazoline,methyl oxazoline PubChem CID: 70713 ChEBI: CHEBI:53614 IUPAC Name: 2-methyl-4,5-dihydro-1,3-oxazole SMILES: CC1=NCCO1
| PubChem CID | 70713 |
|---|---|
| CAS | 1120-64-5 |
| Molecular Weight (g/mol) | 85.11 |
| ChEBI | CHEBI:53614 |
| MDL Number | MFCD00005298 |
| SMILES | CC1=NCCO1 |
| Synonym | 2-methyl-2-oxazoline,2-methyloxazoline,2-methyl-4,5-dihydrooxazole,oxazole, 4,5-dihydro-2-methyl,2-methyl-2-oxazolin,2-methyl-1,3-oxazoline,2-oxazoline, 2-methyl,4,5-dihydro-2-methyl-1,3-oxazole,poly 2-methyl-2-oxazoline,methyl oxazoline |
| IUPAC Name | 2-methyl-4,5-dihydro-1,3-oxazole |
| InChI Key | GUXJXWKCUUWCLX-UHFFFAOYSA-N |
| Molecular Formula | C4H7NO |
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 |
8-Hydroxyquinoline-5-sulfonic acid monohydrate, 98%
CAS: 283158-18-9 InChI Key: WUXYGIQVWKDVTJ-UHFFFAOYSA-N Synonym: 8-hydroxyquinoline-5-sulfonic acid hydrate,8-hydroxy-5-quinolinesulfonic acid monohydrate,8-hydroxyquinoline-5-sulfonic acid monohydrate,unii-n85kc14z44,8-hydroxy-5-quinolinesulfonic acid hydrate,5-quinolinesulfonicacid, 8-hydroxy-, hydrate 1:1,8-hydroxyquinoline-5-sulfonic acid, hydrate,acmc-209pxa,dsstox_cid_24317,dsstox_rid_80150 PubChem CID: 2723649 IUPAC Name: 8-hydroxyquinoline-5-sulfonic acid;hydrate SMILES: C1=CC2=C(C=CC(=C2N=C1)O)S(=O)(=O)O.O
| PubChem CID | 2723649 |
|---|---|
| CAS | 283158-18-9 |
| SMILES | C1=CC2=C(C=CC(=C2N=C1)O)S(=O)(=O)O.O |
| Synonym | 8-hydroxyquinoline-5-sulfonic acid hydrate,8-hydroxy-5-quinolinesulfonic acid monohydrate,8-hydroxyquinoline-5-sulfonic acid monohydrate,unii-n85kc14z44,8-hydroxy-5-quinolinesulfonic acid hydrate,5-quinolinesulfonicacid, 8-hydroxy-, hydrate 1:1,8-hydroxyquinoline-5-sulfonic acid, hydrate,acmc-209pxa,dsstox_cid_24317,dsstox_rid_80150 |
| IUPAC Name | 8-hydroxyquinoline-5-sulfonic acid;hydrate |
| InChI Key | WUXYGIQVWKDVTJ-UHFFFAOYSA-N |
Pyridine-3,4-dicarboxylic acid, 98%
CAS: 490-11-9 Molecular Formula: C7H5NO4 Molecular Weight (g/mol): 167.12 MDL Number: MFCD00006392 InChI Key: MUYSADWCWFFZKR-UHFFFAOYSA-N Synonym: 3,4-pyridinedicarboxylic acid,cinchomeronic acid,chinchomeronic acid,3,4-pyridinedicarboxylicacid,pyridine-3,4-dicarboxylicacid,unii-7389uzw5dy,3,4-pyridindicarbons,cinchomeronsaure,pubchem2419,3,4-dicarboxypyridine PubChem CID: 10273 ChEBI: CHEBI:46860 IUPAC Name: pyridine-3,4-dicarboxylic acid SMILES: OC(=O)C1=CC=NC=C1C(O)=O
| PubChem CID | 10273 |
|---|---|
| CAS | 490-11-9 |
| Molecular Weight (g/mol) | 167.12 |
| ChEBI | CHEBI:46860 |
| MDL Number | MFCD00006392 |
| SMILES | OC(=O)C1=CC=NC=C1C(O)=O |
| Synonym | 3,4-pyridinedicarboxylic acid,cinchomeronic acid,chinchomeronic acid,3,4-pyridinedicarboxylicacid,pyridine-3,4-dicarboxylicacid,unii-7389uzw5dy,3,4-pyridindicarbons,cinchomeronsaure,pubchem2419,3,4-dicarboxypyridine |
| IUPAC Name | pyridine-3,4-dicarboxylic acid |
| InChI Key | MUYSADWCWFFZKR-UHFFFAOYSA-N |
| Molecular Formula | C7H5NO4 |
2-Phenylquinoline-4-carboxylic acid, 99%
CAS: 132-60-5 Molecular Formula: C16H11NO2 Molecular Weight (g/mol): 249.269 MDL Number: MFCD00006750 InChI Key: YTRMTPPVNRALON-UHFFFAOYSA-N Synonym: cinchophen,tervalon,2-phenyl-4-quinolinecarboxylic acid,cinchophene,cinconal,phenoquin,quinofen,quinophan,quinophen,atofan PubChem CID: 8593 IUPAC Name: 2-phenylquinoline-4-carboxylic acid SMILES: C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O
| PubChem CID | 8593 |
|---|---|
| CAS | 132-60-5 |
| Molecular Weight (g/mol) | 249.269 |
| MDL Number | MFCD00006750 |
| SMILES | C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O |
| Synonym | cinchophen,tervalon,2-phenyl-4-quinolinecarboxylic acid,cinchophene,cinconal,phenoquin,quinofen,quinophan,quinophen,atofan |
| IUPAC Name | 2-phenylquinoline-4-carboxylic acid |
| InChI Key | YTRMTPPVNRALON-UHFFFAOYSA-N |
| Molecular Formula | C16H11NO2 |
2,2-Dimethyl-1,3-dioxane-4,6-dione, 98%
CAS: 2033-24-1 Molecular Formula: C6H8O4 Molecular Weight (g/mol): 144.13 MDL Number: MFCD00006638 InChI Key: GXHFUVWIGNLZSC-UHFFFAOYSA-N Synonym: meldrum's acid,isopropylidene malonate,meldrums acid,1,3-dioxane-4,6-dione, 2,2-dimethyl,sub-isopropyl malonate,2,2-dimethyl-1,3-dioxan-4,6-dione,cycl-isopropylidene malonate,cyclic isopropylidene malonate,malonic acid cyclic isopropylidene ester,meldrum acid PubChem CID: 16249 IUPAC Name: 2,2-dimethyl-1,3-dioxane-4,6-dione SMILES: CC1(OC(=O)CC(=O)O1)C
| PubChem CID | 16249 |
|---|---|
| CAS | 2033-24-1 |
| Molecular Weight (g/mol) | 144.13 |
| MDL Number | MFCD00006638 |
| SMILES | CC1(OC(=O)CC(=O)O1)C |
| Synonym | meldrum's acid,isopropylidene malonate,meldrums acid,1,3-dioxane-4,6-dione, 2,2-dimethyl,sub-isopropyl malonate,2,2-dimethyl-1,3-dioxan-4,6-dione,cycl-isopropylidene malonate,cyclic isopropylidene malonate,malonic acid cyclic isopropylidene ester,meldrum acid |
| IUPAC Name | 2,2-dimethyl-1,3-dioxane-4,6-dione |
| InChI Key | GXHFUVWIGNLZSC-UHFFFAOYSA-N |
| Molecular Formula | C6H8O4 |
2-Mercaptothiazoline, 98%
CAS: 96-53-7 Molecular Formula: C3H5NS2 Molecular Weight (g/mol): 119.21 MDL Number: MFCD00126013 InChI Key: WGJCBBASTRWVJL-UHFFFAOYSA-N Synonym: 2-mercaptothiazoline,2-thiazolidinethione,2-thiazoline-2-thiol,thiazolidine-2-thione,metabasal,thyroidan,2-mercapto-2-thiazoline,mercaptothiazoline,2-thiothiazolidone,2-thiazolidenethione PubChem CID: 2723699 IUPAC Name: 1,3-thiazolidine-2-thione SMILES: C1CSC(=S)N1
| PubChem CID | 2723699 |
|---|---|
| CAS | 96-53-7 |
| Molecular Weight (g/mol) | 119.21 |
| MDL Number | MFCD00126013 |
| SMILES | C1CSC(=S)N1 |
| Synonym | 2-mercaptothiazoline,2-thiazolidinethione,2-thiazoline-2-thiol,thiazolidine-2-thione,metabasal,thyroidan,2-mercapto-2-thiazoline,mercaptothiazoline,2-thiothiazolidone,2-thiazolidenethione |
| IUPAC Name | 1,3-thiazolidine-2-thione |
| InChI Key | WGJCBBASTRWVJL-UHFFFAOYSA-N |
| Molecular Formula | C3H5NS2 |