Organoheterocyclic compounds
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2,3-Diamino-5-bromopyridine 98.0+%, TCI America™
CAS: 38875-53-5 Molecular Formula: C5H7BrN3 Molecular Weight (g/mol): 189.04 MDL Number: MFCD00460094 InChI Key: YRGMYJUKFJPNPD-UHFFFAOYSA-O Synonym: 2,3-diamino-5-bromopyridine,5-bromo-2,3-diaminopyridine,5-bromo-2,3-pyridinediamine,2,3-pyridinediamine, 5-bromo,3-amino-5-bromopyridin-2-yl amine,abbypharma ap-17-5972,5-brompyridin-2,3-diamin,pubchem5383,acmc-1adjl,5-brompyridin-2,3-diamine PubChem CID: 691156 IUPAC Name: 2,3-diamino-5-bromopyridin-1-ium SMILES: NC1=CC(Br)=C[NH+]=C1N
| PubChem CID | 691156 |
|---|---|
| CAS | 38875-53-5 |
| Molecular Weight (g/mol) | 189.04 |
| MDL Number | MFCD00460094 |
| SMILES | NC1=CC(Br)=C[NH+]=C1N |
| Synonym | 2,3-diamino-5-bromopyridine,5-bromo-2,3-diaminopyridine,5-bromo-2,3-pyridinediamine,2,3-pyridinediamine, 5-bromo,3-amino-5-bromopyridin-2-yl amine,abbypharma ap-17-5972,5-brompyridin-2,3-diamin,pubchem5383,acmc-1adjl,5-brompyridin-2,3-diamine |
| IUPAC Name | 2,3-diamino-5-bromopyridin-1-ium |
| InChI Key | YRGMYJUKFJPNPD-UHFFFAOYSA-O |
| Molecular Formula | C5H7BrN3 |
3,4-Dihydro-6-hydroxy-2(1H)-quinolinone 98.0+%, TCI America™
CAS: 54197-66-9 Molecular Formula: C9H9NO2 Molecular Weight (g/mol): 163.176 MDL Number: MFCD02179410 InChI Key: HOSGXJWQVBHGLT-UHFFFAOYSA-N Synonym: 6-Hydroxy-3,4-dihydro-2(1H)-quinolinone, 6-Hydroxy-2-oxo-1,2,3,4-tetrahydroquinoline PubChem CID: 2774040 IUPAC Name: 6-hydroxy-3,4-dihydro-1H-quinolin-2-one SMILES: C1CC(=O)NC2=C1C=C(C=C2)O
| PubChem CID | 2774040 |
|---|---|
| CAS | 54197-66-9 |
| Molecular Weight (g/mol) | 163.176 |
| MDL Number | MFCD02179410 |
| SMILES | C1CC(=O)NC2=C1C=C(C=C2)O |
| Synonym | 6-Hydroxy-3,4-dihydro-2(1H)-quinolinone, 6-Hydroxy-2-oxo-1,2,3,4-tetrahydroquinoline |
| IUPAC Name | 6-hydroxy-3,4-dihydro-1H-quinolin-2-one |
| InChI Key | HOSGXJWQVBHGLT-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO2 |
3,5-Dimethyl-4-nitroisoxazole 98.0+%, TCI America™
CAS: 1123-49-5 Molecular Formula: C5H6N2O3 Molecular Weight (g/mol): 142.11 MDL Number: MFCD00051656 InChI Key: PMQFLWLYAXYFHG-UHFFFAOYSA-N PubChem CID: 261410 IUPAC Name: 3,5-dimethyl-4-nitro-1,2-oxazole SMILES: CC1=C(C(C)=NO1)[N+]([O-])=O
| PubChem CID | 261410 |
|---|---|
| CAS | 1123-49-5 |
| Molecular Weight (g/mol) | 142.11 |
| MDL Number | MFCD00051656 |
| SMILES | CC1=C(C(C)=NO1)[N+]([O-])=O |
| IUPAC Name | 3,5-dimethyl-4-nitro-1,2-oxazole |
| InChI Key | PMQFLWLYAXYFHG-UHFFFAOYSA-N |
| Molecular Formula | C5H6N2O3 |
5-Methylcytidine 98.0+%, TCI America™
CAS: 2140-61-6 Molecular Formula: C10H15N3O5 Molecular Weight (g/mol): 257.25 MDL Number: MFCD00006548 InChI Key: ZAYHVCMSTBRABG-JXOAFFINSA-N PubChem CID: 92918 ChEBI: CHEBI:20607 IUPAC Name: 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,2-dihydropyrimidin-2-one SMILES: CC1=CN([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(=O)N=C1N
| PubChem CID | 92918 |
|---|---|
| CAS | 2140-61-6 |
| Molecular Weight (g/mol) | 257.25 |
| ChEBI | CHEBI:20607 |
| MDL Number | MFCD00006548 |
| SMILES | CC1=CN([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(=O)N=C1N |
| IUPAC Name | 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,2-dihydropyrimidin-2-one |
| InChI Key | ZAYHVCMSTBRABG-JXOAFFINSA-N |
| Molecular Formula | C10H15N3O5 |
6-Methylnicotinic Acid 98.0+%, TCI America™
CAS: 3222-47-7 Molecular Formula: C7H7NO2 Molecular Weight (g/mol): 137.138 MDL Number: MFCD00006341 InChI Key: RZOKQIPOABEQAM-UHFFFAOYSA-N Synonym: 6-methylnicotinic acid,3-pyridinecarboxylic acid, 6-methyl,6-methyl nicotinic acid,2-methylpyridine-5-carboxylic acid,2-methyl-5-pyridinecarboxylic acid,6-methyl-3-pyridinecarboxylic acid,2-methyl-5-pyridine carboxylic acid,6-methylnicotinate,6-methylnicotinicacid,pubchem1218 PubChem CID: 137860 IUPAC Name: 6-methylpyridine-3-carboxylic acid SMILES: CC1=NC=C(C=C1)C(=O)O
| PubChem CID | 137860 |
|---|---|
| CAS | 3222-47-7 |
| Molecular Weight (g/mol) | 137.138 |
| MDL Number | MFCD00006341 |
| SMILES | CC1=NC=C(C=C1)C(=O)O |
| Synonym | 6-methylnicotinic acid,3-pyridinecarboxylic acid, 6-methyl,6-methyl nicotinic acid,2-methylpyridine-5-carboxylic acid,2-methyl-5-pyridinecarboxylic acid,6-methyl-3-pyridinecarboxylic acid,2-methyl-5-pyridine carboxylic acid,6-methylnicotinate,6-methylnicotinicacid,pubchem1218 |
| IUPAC Name | 6-methylpyridine-3-carboxylic acid |
| InChI Key | RZOKQIPOABEQAM-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO2 |
3-Methyl-3-(2-oxopropyl)-2,4,7-trioxabicyclo[3.3.0]octane 95.0+%, TCI America™
CAS: 1378825-86-5 Molecular Formula: C9H14O4 Molecular Weight (g/mol): 186.207 InChI Key: RGYHEPWCPQAJSI-UHFFFAOYSA-N PubChem CID: 44629945 IUPAC Name: 1-(2-methyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-2-yl)propan-2-one SMILES: CC(=O)CC1(OC2COCC2O1)C
| PubChem CID | 44629945 |
|---|---|
| CAS | 1378825-86-5 |
| Molecular Weight (g/mol) | 186.207 |
| SMILES | CC(=O)CC1(OC2COCC2O1)C |
| IUPAC Name | 1-(2-methyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-2-yl)propan-2-one |
| InChI Key | RGYHEPWCPQAJSI-UHFFFAOYSA-N |
| Molecular Formula | C9H14O4 |
(R)-1-Methyl-3-pyrrolidinol 98.0+%, TCI America™
CAS: 104641-60-3 Molecular Formula: C5H11NO Molecular Weight (g/mol): 101.15 MDL Number: MFCD03788747 InChI Key: FLVFPAIGVBQGET-UHFFFAOYNA-N Synonym: 3r-1-methylpyrrolidin-3-ol,r---1-methyl-3-pyrrolidinol,r-3-hydroxy-1-methyl-pyrrolidine,r-1-methyl-3-pyrrolidinol,r-1-methylpyrrolidin-3-ol,r-3-hydroxy-1-methylpyrrolidine,r---1-methyl-3-hydroxypyrrolidine,3-pyrrolidinol, 1-methyl-, 3r,r-1-methyl-pyrrolidin-3-ol,unii-6hvw4ew50x PubChem CID: 6951332 IUPAC Name: 1-methylpyrrolidin-3-ol SMILES: CN1CCC(O)C1
| PubChem CID | 6951332 |
|---|---|
| CAS | 104641-60-3 |
| Molecular Weight (g/mol) | 101.15 |
| MDL Number | MFCD03788747 |
| SMILES | CN1CCC(O)C1 |
| Synonym | 3r-1-methylpyrrolidin-3-ol,r---1-methyl-3-pyrrolidinol,r-3-hydroxy-1-methyl-pyrrolidine,r-1-methyl-3-pyrrolidinol,r-1-methylpyrrolidin-3-ol,r-3-hydroxy-1-methylpyrrolidine,r---1-methyl-3-hydroxypyrrolidine,3-pyrrolidinol, 1-methyl-, 3r,r-1-methyl-pyrrolidin-3-ol,unii-6hvw4ew50x |
| IUPAC Name | 1-methylpyrrolidin-3-ol |
| InChI Key | FLVFPAIGVBQGET-UHFFFAOYNA-N |
| Molecular Formula | C5H11NO |
2,5-Dimethyl-3-furancarboxylic Acid 98.0+%, TCI America™
CAS: 636-44-2 Molecular Formula: C7H8O3 Molecular Weight (g/mol): 140.138 MDL Number: MFCD00082181 InChI Key: CNTHHNPBADVTRY-UHFFFAOYSA-N Synonym: 2,5-Dimethyl-3-furoic Acid PubChem CID: 69465 IUPAC Name: 2,5-dimethylfuran-3-carboxylic acid SMILES: CC1=CC(=C(O1)C)C(=O)O
| PubChem CID | 69465 |
|---|---|
| CAS | 636-44-2 |
| Molecular Weight (g/mol) | 140.138 |
| MDL Number | MFCD00082181 |
| SMILES | CC1=CC(=C(O1)C)C(=O)O |
| Synonym | 2,5-Dimethyl-3-furoic Acid |
| IUPAC Name | 2,5-dimethylfuran-3-carboxylic acid |
| InChI Key | CNTHHNPBADVTRY-UHFFFAOYSA-N |
| Molecular Formula | C7H8O3 |
4-Methoxybenzyl 3-Chloromethyl-7-(2-phenylacetamido)-3-cephem-4-carboxylate 98.0+%, TCI America™
CAS: 104146-10-3 Molecular Formula: C24H23ClN2O5S Molecular Weight (g/mol): 486.97 MDL Number: MFCD00191253,MFCD00191253 InChI Key: KFCMZNUGNLCSJQ-UHFFFAOYNA-N Synonym: 3-Chloromethyl-7-(2-phenylacetamido)-3-cephem-4-carboxylic Acid 4-Methoxybenzyl Ester PubChem CID: 13822075 IUPAC Name: (4-methoxyphenyl)methyl 3-(chloromethyl)-8-oxo-7-(2-phenylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate SMILES: COC1=CC=C(COC(=O)C2=C(CCl)CSC3C(NC(=O)CC4=CC=CC=C4)C(=O)N23)C=C1
| PubChem CID | 13822075 |
|---|---|
| CAS | 104146-10-3 |
| Molecular Weight (g/mol) | 486.97 |
| MDL Number | MFCD00191253,MFCD00191253 |
| SMILES | COC1=CC=C(COC(=O)C2=C(CCl)CSC3C(NC(=O)CC4=CC=CC=C4)C(=O)N23)C=C1 |
| Synonym | 3-Chloromethyl-7-(2-phenylacetamido)-3-cephem-4-carboxylic Acid 4-Methoxybenzyl Ester |
| IUPAC Name | (4-methoxyphenyl)methyl 3-(chloromethyl)-8-oxo-7-(2-phenylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate |
| InChI Key | KFCMZNUGNLCSJQ-UHFFFAOYNA-N |
| Molecular Formula | C24H23ClN2O5S |
Methyl 3-Hydroxyisoxazole-5-carboxylate 98.0+%, TCI America™
CAS: 10068-07-2 Molecular Formula: C5H5NO4 Molecular Weight (g/mol): 143.10 MDL Number: MFCD00062870 InChI Key: BBFWUUBQSXVHHZ-UHFFFAOYSA-N Synonym: methyl 3-hydroxyisoxazole-5-carboxylate,methyl 3-hydroxy-5-isoxazolecarboxylate,methyl 3-hydroxy-1,2-oxazole-5-carboxylate,3-hydroxyisoxazole-5-carboxylic acid methyl ester,methyl 3-hydroxyl-5-isoxazolecarboxylate,methyl-3-hydroxy-5-isoxazolecarboxylate,5-isoxazolecarboxylic acid, 2,3-dihydro-3-oxo-, methyl ester,3-hydroxy-isoxazole-5-carboxylic acid methyl ester,methyl 3-oxo-2,3-dihydro-1,2-oxazole-5-carboxylate,methyl 3-oxo-2h-1,2-oxazole-5-carboxylate PubChem CID: 2724585 IUPAC Name: methyl 3-oxo-2,3-dihydro-1,2-oxazole-5-carboxylate SMILES: COC(=O)C1=CC(=O)NO1
| PubChem CID | 2724585 |
|---|---|
| CAS | 10068-07-2 |
| Molecular Weight (g/mol) | 143.10 |
| MDL Number | MFCD00062870 |
| SMILES | COC(=O)C1=CC(=O)NO1 |
| Synonym | methyl 3-hydroxyisoxazole-5-carboxylate,methyl 3-hydroxy-5-isoxazolecarboxylate,methyl 3-hydroxy-1,2-oxazole-5-carboxylate,3-hydroxyisoxazole-5-carboxylic acid methyl ester,methyl 3-hydroxyl-5-isoxazolecarboxylate,methyl-3-hydroxy-5-isoxazolecarboxylate,5-isoxazolecarboxylic acid, 2,3-dihydro-3-oxo-, methyl ester,3-hydroxy-isoxazole-5-carboxylic acid methyl ester,methyl 3-oxo-2,3-dihydro-1,2-oxazole-5-carboxylate,methyl 3-oxo-2h-1,2-oxazole-5-carboxylate |
| IUPAC Name | methyl 3-oxo-2,3-dihydro-1,2-oxazole-5-carboxylate |
| InChI Key | BBFWUUBQSXVHHZ-UHFFFAOYSA-N |
| Molecular Formula | C5H5NO4 |
9-[3-(Dibenzofuran-2-yl)phenyl]-9H-carbazole 98.0+%, TCI America™
CAS: 1338446-77-7 Molecular Formula: C30H19NO Molecular Weight (g/mol): 409.488 InChI Key: YEWVLWWLYHXZLZ-UHFFFAOYSA-N PubChem CID: 58556666 IUPAC Name: 9-(3-dibenzofuran-2-ylphenyl)carbazole SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3N2C4=CC=CC(=C4)C5=CC6=C(C=C5)OC7=CC=CC=C76
| PubChem CID | 58556666 |
|---|---|
| CAS | 1338446-77-7 |
| Molecular Weight (g/mol) | 409.488 |
| SMILES | C1=CC=C2C(=C1)C3=CC=CC=C3N2C4=CC=CC(=C4)C5=CC6=C(C=C5)OC7=CC=CC=C76 |
| IUPAC Name | 9-(3-dibenzofuran-2-ylphenyl)carbazole |
| InChI Key | YEWVLWWLYHXZLZ-UHFFFAOYSA-N |
| Molecular Formula | C30H19NO |
2,3-Dichloro-5-hydroxypyridine 98.0+%, TCI America™
CAS: 110860-92-9 Molecular Formula: C5H3Cl2NO Molecular Weight (g/mol): 163.985 MDL Number: MFCD09835219 InChI Key: GMHPKIGFTDRQBP-UHFFFAOYSA-N Synonym: 5,6-Dichloro-3-pyridinol PubChem CID: 14391672 IUPAC Name: 5,6-dichloropyridin-3-ol SMILES: C1=C(C=NC(=C1Cl)Cl)O
| PubChem CID | 14391672 |
|---|---|
| CAS | 110860-92-9 |
| Molecular Weight (g/mol) | 163.985 |
| MDL Number | MFCD09835219 |
| SMILES | C1=C(C=NC(=C1Cl)Cl)O |
| Synonym | 5,6-Dichloro-3-pyridinol |
| IUPAC Name | 5,6-dichloropyridin-3-ol |
| InChI Key | GMHPKIGFTDRQBP-UHFFFAOYSA-N |
| Molecular Formula | C5H3Cl2NO |
2,4-Dichloronicotinic Acid 98.0+%, TCI America™
CAS: 262423-77-8 Molecular Formula: C6H3Cl2NO2 Molecular Weight (g/mol): 192.00 MDL Number: MFCD06796292 InChI Key: ZFGZNVSNOJPGDV-UHFFFAOYSA-N Synonym: 2,4-dichloronicotinic acid,2,4-dichloronicotinc acid,2,4-dichloronicotinicacid,2,4-dichloro-3-pyridinecarboxylic acid,2.4-dichloronicotinic acid,2,4-dichloropyridine-3-carboxylicacid,dichloronicotinic acid;,pubchem17746,2,4-dichloronicotinic acid; PubChem CID: 10583887 IUPAC Name: 2,4-dichloropyridine-3-carboxylic acid SMILES: OC(=O)C1=C(Cl)C=CN=C1Cl
| PubChem CID | 10583887 |
|---|---|
| CAS | 262423-77-8 |
| Molecular Weight (g/mol) | 192.00 |
| MDL Number | MFCD06796292 |
| SMILES | OC(=O)C1=C(Cl)C=CN=C1Cl |
| Synonym | 2,4-dichloronicotinic acid,2,4-dichloronicotinc acid,2,4-dichloronicotinicacid,2,4-dichloro-3-pyridinecarboxylic acid,2.4-dichloronicotinic acid,2,4-dichloropyridine-3-carboxylicacid,dichloronicotinic acid;,pubchem17746,2,4-dichloronicotinic acid; |
| IUPAC Name | 2,4-dichloropyridine-3-carboxylic acid |
| InChI Key | ZFGZNVSNOJPGDV-UHFFFAOYSA-N |
| Molecular Formula | C6H3Cl2NO2 |
5-Methylbenzo[b]thiophene 98.0+%, TCI America™
CAS: 14315-14-1 Molecular Formula: C9H8S Molecular Weight (g/mol): 148.22 MDL Number: MFCD00052509 InChI Key: DOHZWDWNQFZIKH-UHFFFAOYSA-N Synonym: 5-methylbenzo b thiophene,benzo b thiophene, 5-methyl,5-methylbenzothiophene,5-methyl-benzo b thiophene,5-methylthianaphthene,5-methyl-benzothiophene,benzothiophene, 5-mehyl,5-methyl benzo b thiophene PubChem CID: 84346 IUPAC Name: 5-methyl-1-benzothiophene SMILES: CC1=CC=C2SC=CC2=C1
| PubChem CID | 84346 |
|---|---|
| CAS | 14315-14-1 |
| Molecular Weight (g/mol) | 148.22 |
| MDL Number | MFCD00052509 |
| SMILES | CC1=CC=C2SC=CC2=C1 |
| Synonym | 5-methylbenzo b thiophene,benzo b thiophene, 5-methyl,5-methylbenzothiophene,5-methyl-benzo b thiophene,5-methylthianaphthene,5-methyl-benzothiophene,benzothiophene, 5-mehyl,5-methyl benzo b thiophene |
| IUPAC Name | 5-methyl-1-benzothiophene |
| InChI Key | DOHZWDWNQFZIKH-UHFFFAOYSA-N |
| Molecular Formula | C9H8S |
(R)-(-)-Rolipram 98.0+%, TCI America™
CAS: 85416-75-7 Molecular Formula: C16H21NO3 Molecular Weight (g/mol): 275.348 MDL Number: MFCD03093861 InChI Key: HJORMJIFDVBMOB-LBPRGKRZSA-N Synonym: r---rolipram,r-rolipram,r-4-3-cyclopentyloxy-4-methoxyphenyl pyrrolidin-2-one,--rolipram,4r-4-3-cyclopentyloxy-4-methoxyphenyl pyrrolidin-2-one,unii-dpx51kup08,dpx51kup08,1xmy,rolipram, r PubChem CID: 448055 ChEBI: CHEBI:40133 IUPAC Name: (4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one SMILES: COC1=C(C=C(C=C1)C2CC(=O)NC2)OC3CCCC3
| PubChem CID | 448055 |
|---|---|
| CAS | 85416-75-7 |
| Molecular Weight (g/mol) | 275.348 |
| ChEBI | CHEBI:40133 |
| MDL Number | MFCD03093861 |
| SMILES | COC1=C(C=C(C=C1)C2CC(=O)NC2)OC3CCCC3 |
| Synonym | r---rolipram,r-rolipram,r-4-3-cyclopentyloxy-4-methoxyphenyl pyrrolidin-2-one,--rolipram,4r-4-3-cyclopentyloxy-4-methoxyphenyl pyrrolidin-2-one,unii-dpx51kup08,dpx51kup08,1xmy,rolipram, r |
| IUPAC Name | (4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one |
| InChI Key | HJORMJIFDVBMOB-LBPRGKRZSA-N |
| Molecular Formula | C16H21NO3 |