Organoheterocyclic compounds
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Ethyl 2-morpholinobenzoate, 97%, Thermo Scientific™
CAS: 192817-79-1 Molecular Formula: C13H17NO3 Molecular Weight (g/mol): 235.283 MDL Number: MFCD06204497 InChI Key: UIVDSGDHUXOYDW-UHFFFAOYSA-N Synonym: ethyl 2-morpholinobenzoate,ethyl 2-morpholin-4-yl benzoate,2-morpholin-4-yl-benzoic acid ethyl ester,benzoic acid,2-4-morpholinyl-,ethyl ester,2-morpholin-4-ylbenzoic acid ethyl ester,benzoic acid,2-4-morpholinyl-, ethyl ester PubChem CID: 7148401 IUPAC Name: ethyl 2-morpholin-4-ylbenzoate SMILES: CCOC(=O)C1=CC=CC=C1N2CCOCC2
| PubChem CID | 7148401 |
|---|---|
| CAS | 192817-79-1 |
| Molecular Weight (g/mol) | 235.283 |
| MDL Number | MFCD06204497 |
| SMILES | CCOC(=O)C1=CC=CC=C1N2CCOCC2 |
| Synonym | ethyl 2-morpholinobenzoate,ethyl 2-morpholin-4-yl benzoate,2-morpholin-4-yl-benzoic acid ethyl ester,benzoic acid,2-4-morpholinyl-,ethyl ester,2-morpholin-4-ylbenzoic acid ethyl ester,benzoic acid,2-4-morpholinyl-, ethyl ester |
| IUPAC Name | ethyl 2-morpholin-4-ylbenzoate |
| InChI Key | UIVDSGDHUXOYDW-UHFFFAOYSA-N |
| Molecular Formula | C13H17NO3 |
N-Butylimidazole, 98%
CAS: 4316-42-1 Molecular Formula: C7H12N2 Molecular Weight (g/mol): 124.19 MDL Number: MFCD00042753 InChI Key: MCMFEZDRQOJKMN-UHFFFAOYSA-N Synonym: 1-butyl-1h-imidazole,1h-imidazole, 1-butyl,n-butylimidazole,1-n-butylimidazole,n-n-butyl imidazole,1-n-butyl imidazole,1-buthylimidazole,n-n-butylimidazole,imidazole, 1-butyl PubChem CID: 61347 IUPAC Name: 1-butyl-1H-imidazole SMILES: CCCCN1C=CN=C1
| PubChem CID | 61347 |
|---|---|
| CAS | 4316-42-1 |
| Molecular Weight (g/mol) | 124.19 |
| MDL Number | MFCD00042753 |
| SMILES | CCCCN1C=CN=C1 |
| Synonym | 1-butyl-1h-imidazole,1h-imidazole, 1-butyl,n-butylimidazole,1-n-butylimidazole,n-n-butyl imidazole,1-n-butyl imidazole,1-buthylimidazole,n-n-butylimidazole,imidazole, 1-butyl |
| IUPAC Name | 1-butyl-1H-imidazole |
| InChI Key | MCMFEZDRQOJKMN-UHFFFAOYSA-N |
| Molecular Formula | C7H12N2 |
2-Methylbenzo[b]thiophene, 98%
CAS: 1195-14-8 Molecular Formula: C9H8S Molecular Weight (g/mol): 148.22 MDL Number: MFCD00216250 InChI Key: BLZKSRBAQDZAIX-UHFFFAOYSA-N PubChem CID: 70952 IUPAC Name: 2-methyl-1-benzothiophene SMILES: CC1=CC2=CC=CC=C2S1
| PubChem CID | 70952 |
|---|---|
| CAS | 1195-14-8 |
| Molecular Weight (g/mol) | 148.22 |
| MDL Number | MFCD00216250 |
| SMILES | CC1=CC2=CC=CC=C2S1 |
| IUPAC Name | 2-methyl-1-benzothiophene |
| InChI Key | BLZKSRBAQDZAIX-UHFFFAOYSA-N |
| Molecular Formula | C9H8S |
(3-Methylisoxazol-5-yl)methanol, 97%, Thermo Scientific™
CAS: 14716-89-3 Molecular Formula: C5H7NO2 Molecular Weight (g/mol): 113.116 MDL Number: MFCD09859210 InChI Key: OFSDWHRZVRCPBR-UHFFFAOYSA-N Synonym: 3-methylisoxazol-5-yl methanol,3-methyl-1,2-oxazol-5-yl methanol,3-methyl-5-isoxazolemethanol,5-isoxazolemethanol,3-methyl,3-methylisoxazol-5-yl methan-1-ol,3-methylisoxazole-5-methanol,5-isoxazolemethanol, 3-methyl,3-methyl-5-isoxazolyl methanol,5-hydroxymethyl-3-methylisoxazole,5-hydroxymethyl-3-methyl-isoxazole PubChem CID: 10820493 IUPAC Name: (3-methyl-1,2-oxazol-5-yl)methanol SMILES: CC1=NOC(=C1)CO
| PubChem CID | 10820493 |
|---|---|
| CAS | 14716-89-3 |
| Molecular Weight (g/mol) | 113.116 |
| MDL Number | MFCD09859210 |
| SMILES | CC1=NOC(=C1)CO |
| Synonym | 3-methylisoxazol-5-yl methanol,3-methyl-1,2-oxazol-5-yl methanol,3-methyl-5-isoxazolemethanol,5-isoxazolemethanol,3-methyl,3-methylisoxazol-5-yl methan-1-ol,3-methylisoxazole-5-methanol,5-isoxazolemethanol, 3-methyl,3-methyl-5-isoxazolyl methanol,5-hydroxymethyl-3-methylisoxazole,5-hydroxymethyl-3-methyl-isoxazole |
| IUPAC Name | (3-methyl-1,2-oxazol-5-yl)methanol |
| InChI Key | OFSDWHRZVRCPBR-UHFFFAOYSA-N |
| Molecular Formula | C5H7NO2 |
5-Methylnicotinic acid, 97%
CAS: 3222-49-9 Molecular Formula: C7H7NO2 Molecular Weight (g/mol): 137.138 MDL Number: MFCD00829036 InChI Key: DJDHHXDFKSLEQY-UHFFFAOYSA-N Synonym: 5-methylnicotinic acid,5-methyl-nicotinic acid,5-methyl nicotinic acid,5-methylnicotic acid,5-methyl-3-pyridinecarboxylic acid,3-pyridinecarboxylic acid, 5-methyl,5-methyinicotinic acid,pubchem11961,5-methyl nicotinic aicd,acmc-1afvp PubChem CID: 256208 IUPAC Name: 5-methylpyridine-3-carboxylic acid SMILES: CC1=CN=CC(=C1)C(=O)O
| PubChem CID | 256208 |
|---|---|
| CAS | 3222-49-9 |
| Molecular Weight (g/mol) | 137.138 |
| MDL Number | MFCD00829036 |
| SMILES | CC1=CN=CC(=C1)C(=O)O |
| Synonym | 5-methylnicotinic acid,5-methyl-nicotinic acid,5-methyl nicotinic acid,5-methylnicotic acid,5-methyl-3-pyridinecarboxylic acid,3-pyridinecarboxylic acid, 5-methyl,5-methyinicotinic acid,pubchem11961,5-methyl nicotinic aicd,acmc-1afvp |
| IUPAC Name | 5-methylpyridine-3-carboxylic acid |
| InChI Key | DJDHHXDFKSLEQY-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO2 |
3-Methylxanthine, 98+%
CAS: 1076-22-8 Molecular Formula: C6H6N4O2 Molecular Weight (g/mol): 166.14 MDL Number: MFCD00005580 InChI Key: GMSNIKWWOQHZGF-UHFFFAOYSA-N Synonym: 3-methylxanthine,3-methyl-1h-purine-2,6 3h,7h-dione,2,6-dihydroxy-3-methylpurine,xanthine, 3-methyl,3 mx,3-methyl xanthine,1h-purine-2,6-dione, 3,7-dihydro-3-methyl,unii-ws6x982oec,3-methyl-2,3,6,7-tetrahydro-1h-purine-2,6-dione,ccris 5817 PubChem CID: 70639 ChEBI: CHEBI:62207 IUPAC Name: 3-methyl-7H-purine-2,6-dione SMILES: CN1C2=C(C(=O)NC1=O)NC=N2
| PubChem CID | 70639 |
|---|---|
| CAS | 1076-22-8 |
| Molecular Weight (g/mol) | 166.14 |
| ChEBI | CHEBI:62207 |
| MDL Number | MFCD00005580 |
| SMILES | CN1C2=C(C(=O)NC1=O)NC=N2 |
| Synonym | 3-methylxanthine,3-methyl-1h-purine-2,6 3h,7h-dione,2,6-dihydroxy-3-methylpurine,xanthine, 3-methyl,3 mx,3-methyl xanthine,1h-purine-2,6-dione, 3,7-dihydro-3-methyl,unii-ws6x982oec,3-methyl-2,3,6,7-tetrahydro-1h-purine-2,6-dione,ccris 5817 |
| IUPAC Name | 3-methyl-7H-purine-2,6-dione |
| InChI Key | GMSNIKWWOQHZGF-UHFFFAOYSA-N |
| Molecular Formula | C6H6N4O2 |
Indole-3-acetic Acid, 98%, Spectrum™ Chemical
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CAS: 87-51-4
| CAS | 87-51-4 |
|---|
1-[(Benzyloxy)carbonyl]-2-indolinecarboxylic acid, ≥90%, Thermo Scientific™
CAS: 117483-89-3 Molecular Formula: C17H15NO4 Molecular Weight (g/mol): 297.31 MDL Number: MFCD02682032 InChI Key: BSOYWTITVKXHLM-UHFFFAOYNA-N Synonym: 1-benzyloxy carbonyl-2-indolinecarboxylic acid,1-benzyloxy carbonyl indoline-2-carboxylic acid,1-benzyloxy carbonyl-2,3-dihydroindole-2-carboxylic acid,2,3-dihydro-1h-indole-1,2-dicarboxylic acid 1-benzyl ester,1-benzyloxy carbonyl-2,3-dihydro-1h-indole-2-carboxylic acid,1h-indole-1,2-dicarboxylicacid, 2,3-dihydro-, 1-phenylmethyl ester,acmc-1brpx,1h-indole-1,2-dicarboxylicacid, 2,3-dihydro-, 1-phenylmethyl ester, 2s,1-benzyloxycarbonyl-2-indoline carboxylic acid,1-benzyl-oxy carbonyl-2-indolinecarboxylic acid PubChem CID: 2776400 IUPAC Name: 1-phenylmethoxycarbonyl-2,3-dihydroindole-2-carboxylic acid SMILES: OC(=O)C1CC2=CC=CC=C2N1C(=O)OCC1=CC=CC=C1
| PubChem CID | 2776400 |
|---|---|
| CAS | 117483-89-3 |
| Molecular Weight (g/mol) | 297.31 |
| MDL Number | MFCD02682032 |
| SMILES | OC(=O)C1CC2=CC=CC=C2N1C(=O)OCC1=CC=CC=C1 |
| Synonym | 1-benzyloxy carbonyl-2-indolinecarboxylic acid,1-benzyloxy carbonyl indoline-2-carboxylic acid,1-benzyloxy carbonyl-2,3-dihydroindole-2-carboxylic acid,2,3-dihydro-1h-indole-1,2-dicarboxylic acid 1-benzyl ester,1-benzyloxy carbonyl-2,3-dihydro-1h-indole-2-carboxylic acid,1h-indole-1,2-dicarboxylicacid, 2,3-dihydro-, 1-phenylmethyl ester,acmc-1brpx,1h-indole-1,2-dicarboxylicacid, 2,3-dihydro-, 1-phenylmethyl ester, 2s,1-benzyloxycarbonyl-2-indoline carboxylic acid,1-benzyl-oxy carbonyl-2-indolinecarboxylic acid |
| IUPAC Name | 1-phenylmethoxycarbonyl-2,3-dihydroindole-2-carboxylic acid |
| InChI Key | BSOYWTITVKXHLM-UHFFFAOYNA-N |
| Molecular Formula | C17H15NO4 |
2-Amino-6-chloropurine, 99+%, Thermo Scientific Chemicals
CAS: 10310-21-1 Molecular Formula: C5H4ClN5 Molecular Weight (g/mol): 169.57 MDL Number: MFCD00075252 InChI Key: RYYIULNRIVUMTQ-UHFFFAOYSA-N Synonym: 2-amino-6-chloropurine,6-chloroguanine,6-chloro-9h-purin-2-amine,6-chloro-2-aminopurine,2-amino-6-chlorpurine,1h-purin-2-amine, 6-chloro,purine, 2-amino-6-chloro,6-chloro-7h-purin-2-ylamine,2-amino-6-chloro-purin,2-amino-6-chloro-purine PubChem CID: 5360349 ChEBI: CHEBI:72345 IUPAC Name: 6-chloro-7H-purin-2-amine SMILES: NC1=NC(Cl)=C2NC=NC2=N1
| PubChem CID | 5360349 |
|---|---|
| CAS | 10310-21-1 |
| Molecular Weight (g/mol) | 169.57 |
| ChEBI | CHEBI:72345 |
| MDL Number | MFCD00075252 |
| SMILES | NC1=NC(Cl)=C2NC=NC2=N1 |
| Synonym | 2-amino-6-chloropurine,6-chloroguanine,6-chloro-9h-purin-2-amine,6-chloro-2-aminopurine,2-amino-6-chlorpurine,1h-purin-2-amine, 6-chloro,purine, 2-amino-6-chloro,6-chloro-7h-purin-2-ylamine,2-amino-6-chloro-purin,2-amino-6-chloro-purine |
| IUPAC Name | 6-chloro-7H-purin-2-amine |
| InChI Key | RYYIULNRIVUMTQ-UHFFFAOYSA-N |
| Molecular Formula | C5H4ClN5 |
1-(1-Naphthylmethyl)piperazine, 97%
CAS: 40675-81-8 Molecular Formula: C15H18N2 Molecular Weight (g/mol): 226.323 MDL Number: MFCD01314185 InChI Key: HGYDREHWXXUUIS-UHFFFAOYSA-N Synonym: 1-1-naphthylmethyl piperazine,1-naphthalen-1-ylmethyl piperazine,1-1-naphthylmethyl-piperazine,1-naphthalen-1-ylmethyl-piperazine,1-naphthalen-1-yl methyl piperazine,naphthylmethyl piperazine,1-naphthylmethyl piperazine,1-piperazin-1-yl naphthalene,1-naphth-1-ylmethyl piperazine,1-1-naphthalenylmethyl piperazine PubChem CID: 701891 IUPAC Name: 1-(naphthalen-1-ylmethyl)piperazine SMILES: C1CN(CCN1)CC2=CC=CC3=CC=CC=C32
| PubChem CID | 701891 |
|---|---|
| CAS | 40675-81-8 |
| Molecular Weight (g/mol) | 226.323 |
| MDL Number | MFCD01314185 |
| SMILES | C1CN(CCN1)CC2=CC=CC3=CC=CC=C32 |
| Synonym | 1-1-naphthylmethyl piperazine,1-naphthalen-1-ylmethyl piperazine,1-1-naphthylmethyl-piperazine,1-naphthalen-1-ylmethyl-piperazine,1-naphthalen-1-yl methyl piperazine,naphthylmethyl piperazine,1-naphthylmethyl piperazine,1-piperazin-1-yl naphthalene,1-naphth-1-ylmethyl piperazine,1-1-naphthalenylmethyl piperazine |
| IUPAC Name | 1-(naphthalen-1-ylmethyl)piperazine |
| InChI Key | HGYDREHWXXUUIS-UHFFFAOYSA-N |
| Molecular Formula | C15H18N2 |
6-methyl-2,3-dihydropyridazin-3-one hydrate, Thermo Scientific™
CAS: 7143-82-0 Molecular Formula: C5H6N2O Molecular Weight (g/mol): 110.12 MDL Number: MFCD00039720 InChI Key: QZWIXLPWMGHDDD-UHFFFAOYSA-N Synonym: 6-methylpyridazin-3-ol hydrate,6-methylpyridazin-3 2h-one hydrate,6-methyl-2,3-dihydropyridazin-3-one hydrate,6-methyl-2h-pyridazin-3-one hydrate,6-methylpyridazin-3-one hydrate,3-methyl-1h-pyridazin-6-one hydrate,6-methylpyridazin-3 2h ;-one hydrate,6-methyl-2-hydropyridazin-3-one, hydrate,6-methyl-2,3-dihydropyridazine-3-one hydrate,6-methylpyridazin-3 2h-one-water 1/1 PubChem CID: 2774632 SMILES: CC1=NNC(=O)C=C1
| PubChem CID | 2774632 |
|---|---|
| CAS | 7143-82-0 |
| Molecular Weight (g/mol) | 110.12 |
| MDL Number | MFCD00039720 |
| SMILES | CC1=NNC(=O)C=C1 |
| Synonym | 6-methylpyridazin-3-ol hydrate,6-methylpyridazin-3 2h-one hydrate,6-methyl-2,3-dihydropyridazin-3-one hydrate,6-methyl-2h-pyridazin-3-one hydrate,6-methylpyridazin-3-one hydrate,3-methyl-1h-pyridazin-6-one hydrate,6-methylpyridazin-3 2h ;-one hydrate,6-methyl-2-hydropyridazin-3-one, hydrate,6-methyl-2,3-dihydropyridazine-3-one hydrate,6-methylpyridazin-3 2h-one-water 1/1 |
| InChI Key | QZWIXLPWMGHDDD-UHFFFAOYSA-N |
| Molecular Formula | C5H6N2O |
1-Benzyl-4-cyano-4-hydroxypiperidine, 98%, Thermo Scientific™
CAS: 6094-60-6 Molecular Formula: C13H16N2O Molecular Weight (g/mol): 216.28 MDL Number: MFCD00023752 InChI Key: XQRLXUYZKZXSBN-UHFFFAOYSA-N Synonym: 1-benzyl-4-cyano-4-hydroxypiperidine,maybridge1_006722,acmc-20aoxx,1-benzyl-4-hydroxyisonipecotonitrile,4-hydroxy-1-benzylpiperidine-4-carbonitrile,1-benyl-4-hydroxy-piperidine-4-carbonitrile,1-benzyl-4-hydroxy-4-piperidinecarbonitrile,1-benzyl-4-hydroxy-piperidine-4-carbonitrile,4-hydroxy-1-phenylmethyl-4-piperidinecarbonitrile PubChem CID: 80189 IUPAC Name: 1-benzyl-4-hydroxypiperidine-4-carbonitrile SMILES: OC1(CCN(CC2=CC=CC=C2)CC1)C#N
| PubChem CID | 80189 |
|---|---|
| CAS | 6094-60-6 |
| Molecular Weight (g/mol) | 216.28 |
| MDL Number | MFCD00023752 |
| SMILES | OC1(CCN(CC2=CC=CC=C2)CC1)C#N |
| Synonym | 1-benzyl-4-cyano-4-hydroxypiperidine,maybridge1_006722,acmc-20aoxx,1-benzyl-4-hydroxyisonipecotonitrile,4-hydroxy-1-benzylpiperidine-4-carbonitrile,1-benyl-4-hydroxy-piperidine-4-carbonitrile,1-benzyl-4-hydroxy-4-piperidinecarbonitrile,1-benzyl-4-hydroxy-piperidine-4-carbonitrile,4-hydroxy-1-phenylmethyl-4-piperidinecarbonitrile |
| IUPAC Name | 1-benzyl-4-hydroxypiperidine-4-carbonitrile |
| InChI Key | XQRLXUYZKZXSBN-UHFFFAOYSA-N |
| Molecular Formula | C13H16N2O |
4-(2-Furyl)benzoic acid, 97%, Thermo Scientific™
CAS: 35461-98-4 Molecular Formula: C11H8O3 Molecular Weight (g/mol): 188.18 MDL Number: MFCD04039073 InChI Key: FOJYVBSPOBUCMV-UHFFFAOYSA-N Synonym: 4-2-furyl benzoic acid,4-furan-2-yl benzoic acid,4-furan-2-yl-benzoic acid,2-4-carboxyphenyl furan,4-fur-2-ylbenzoic acid,p-2-furyl benzoic acid,4-2-furanyl benzoic acid PubChem CID: 5138791 IUPAC Name: 4-(furan-2-yl)benzoic acid SMILES: OC(=O)C1=CC=C(C=C1)C1=CC=CO1
| PubChem CID | 5138791 |
|---|---|
| CAS | 35461-98-4 |
| Molecular Weight (g/mol) | 188.18 |
| MDL Number | MFCD04039073 |
| SMILES | OC(=O)C1=CC=C(C=C1)C1=CC=CO1 |
| Synonym | 4-2-furyl benzoic acid,4-furan-2-yl benzoic acid,4-furan-2-yl-benzoic acid,2-4-carboxyphenyl furan,4-fur-2-ylbenzoic acid,p-2-furyl benzoic acid,4-2-furanyl benzoic acid |
| IUPAC Name | 4-(furan-2-yl)benzoic acid |
| InChI Key | FOJYVBSPOBUCMV-UHFFFAOYSA-N |
| Molecular Formula | C11H8O3 |
2-Amino-5-chloro-3-iodopyridine, 95%, Thermo Scientific™
CAS: 211308-81-5 Molecular Formula: C5H4ClIN2 Molecular Weight (g/mol): 254.455 MDL Number: MFCD07644578 InChI Key: DIONPYCYVWCDIG-UHFFFAOYSA-N Synonym: 2-amino-5-chloro-3-iodopyridine,5-chloro-3-iodo-pyridin-2-ylamine,5-chloro-3-iodo-2-pyridinamine,2-pyridinamine, 5-chloro-3-iodo,pubchem16614,acmc-1cc0x,ksc496m8l,2-amino-5-chloro-3-iodopyridin,5-chloro-3-iodo-2-pyridylamine,5-chloro-3-iodo-2-aminopyridine PubChem CID: 11076010 IUPAC Name: 5-chloro-3-iodopyridin-2-amine SMILES: C1=C(C=NC(=C1I)N)Cl
| PubChem CID | 11076010 |
|---|---|
| CAS | 211308-81-5 |
| Molecular Weight (g/mol) | 254.455 |
| MDL Number | MFCD07644578 |
| SMILES | C1=C(C=NC(=C1I)N)Cl |
| Synonym | 2-amino-5-chloro-3-iodopyridine,5-chloro-3-iodo-pyridin-2-ylamine,5-chloro-3-iodo-2-pyridinamine,2-pyridinamine, 5-chloro-3-iodo,pubchem16614,acmc-1cc0x,ksc496m8l,2-amino-5-chloro-3-iodopyridin,5-chloro-3-iodo-2-pyridylamine,5-chloro-3-iodo-2-aminopyridine |
| IUPAC Name | 5-chloro-3-iodopyridin-2-amine |
| InChI Key | DIONPYCYVWCDIG-UHFFFAOYSA-N |
| Molecular Formula | C5H4ClIN2 |
2-Chloro-4-methylquinoline, 99%
CAS: 634-47-9 Molecular Formula: C10H8ClN Molecular Weight (g/mol): 177.631 MDL Number: MFCD00006742 InChI Key: PFEIMKNQOIFKSW-UHFFFAOYSA-N Synonym: 2-chlorolepidine,2-chloro-4-methyl-quinoline,quinoline, 2-chloro-4-methyl,lepidine, 2-chloro,pubchem5879,acmc-209nfp,2-chloro-4methylquinoline,4-methyl-2-chloroquinoline,2-chlor-4-methyl-chinolin,2-chloro-4-metyhylquinoline PubChem CID: 69449 IUPAC Name: 2-chloro-4-methylquinoline SMILES: CC1=CC(=NC2=CC=CC=C12)Cl
| PubChem CID | 69449 |
|---|---|
| CAS | 634-47-9 |
| Molecular Weight (g/mol) | 177.631 |
| MDL Number | MFCD00006742 |
| SMILES | CC1=CC(=NC2=CC=CC=C12)Cl |
| Synonym | 2-chlorolepidine,2-chloro-4-methyl-quinoline,quinoline, 2-chloro-4-methyl,lepidine, 2-chloro,pubchem5879,acmc-209nfp,2-chloro-4methylquinoline,4-methyl-2-chloroquinoline,2-chlor-4-methyl-chinolin,2-chloro-4-metyhylquinoline |
| IUPAC Name | 2-chloro-4-methylquinoline |
| InChI Key | PFEIMKNQOIFKSW-UHFFFAOYSA-N |
| Molecular Formula | C10H8ClN |