Organoheterocyclic compounds
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8-Hydroxyquinoline-2-carbonitrile, 98%
CAS: 6759-78-0 Molecular Formula: C10H6N2O Molecular Weight (g/mol): 170.171 MDL Number: MFCD00216717 InChI Key: KUQKKIBQVSFDHX-UHFFFAOYSA-N PubChem CID: 2734032 IUPAC Name: 8-hydroxyquinoline-2-carbonitrile SMILES: C1=CC2=C(C(=C1)O)N=C(C=C2)C#N
| PubChem CID | 2734032 |
|---|---|
| CAS | 6759-78-0 |
| Molecular Weight (g/mol) | 170.171 |
| MDL Number | MFCD00216717 |
| SMILES | C1=CC2=C(C(=C1)O)N=C(C=C2)C#N |
| IUPAC Name | 8-hydroxyquinoline-2-carbonitrile |
| InChI Key | KUQKKIBQVSFDHX-UHFFFAOYSA-N |
| Molecular Formula | C10H6N2O |
5-(4-Methoxyphenyl)thiophene-2-carboxaldehyde, 99%
CAS: 38401-67-1 Molecular Formula: C12H10O2S Molecular Weight (g/mol): 218.27 MDL Number: MFCD00663639 InChI Key: ODLOZSNXTQAWGQ-UHFFFAOYSA-N Synonym: 5-4-methoxyphenyl thiophene-2-carbaldehyde,5-4-methoxyphenyl thiophene-2-carboxaldehyde,5-4-methoxyphenyl-2-thiophenecarbaldehyde,acmc-1ahp9,rarechem ak ma k025,methoxyphenylthiophenecarbaldehyde,2-formyl-5-4-methoxyphenyl thiophene,5-4-methoxylphenyl thiophene-2-carbaldehyde,5-4-methoxyphenyl-2-thiophenecarboxaldehyde,5-4-methoxy-phenyl-thiophene-2-carbaldehyde PubChem CID: 2797800 IUPAC Name: 5-(4-methoxyphenyl)thiophene-2-carbaldehyde SMILES: COC1=CC=C(C=C1)C1=CC=C(S1)C=O
| PubChem CID | 2797800 |
|---|---|
| CAS | 38401-67-1 |
| Molecular Weight (g/mol) | 218.27 |
| MDL Number | MFCD00663639 |
| SMILES | COC1=CC=C(C=C1)C1=CC=C(S1)C=O |
| Synonym | 5-4-methoxyphenyl thiophene-2-carbaldehyde,5-4-methoxyphenyl thiophene-2-carboxaldehyde,5-4-methoxyphenyl-2-thiophenecarbaldehyde,acmc-1ahp9,rarechem ak ma k025,methoxyphenylthiophenecarbaldehyde,2-formyl-5-4-methoxyphenyl thiophene,5-4-methoxylphenyl thiophene-2-carbaldehyde,5-4-methoxyphenyl-2-thiophenecarboxaldehyde,5-4-methoxy-phenyl-thiophene-2-carbaldehyde |
| IUPAC Name | 5-(4-methoxyphenyl)thiophene-2-carbaldehyde |
| InChI Key | ODLOZSNXTQAWGQ-UHFFFAOYSA-N |
| Molecular Formula | C12H10O2S |
1-(Benzyloxycarbonyl)piperazine, 98%
CAS: 31166-44-6 Molecular Formula: C12H17N2O2 Molecular Weight (g/mol): 221.28 MDL Number: MFCD00274317 InChI Key: CTOUWUYDDUSBQE-UHFFFAOYSA-O Synonym: 1-cbz-piperazine,benzyl 1-piperazinecarboxylate,1-benzyloxycarbonyl piperazine,1-carbobenzoxypiperazine,n-cbz-piperazine,1-z-piperazine,1-piperazinecarboxylic acid, phenylmethyl ester,piperazine-1-carboxylic acid benzyl ester,phenylmethyl piperazinecarboxylate,cbz-piperazine PubChem CID: 643495 IUPAC Name: benzyl piperazine-1-carboxylate SMILES: O=C(OCC1=CC=CC=C1)N1CC[NH2+]CC1
| PubChem CID | 643495 |
|---|---|
| CAS | 31166-44-6 |
| Molecular Weight (g/mol) | 221.28 |
| MDL Number | MFCD00274317 |
| SMILES | O=C(OCC1=CC=CC=C1)N1CC[NH2+]CC1 |
| Synonym | 1-cbz-piperazine,benzyl 1-piperazinecarboxylate,1-benzyloxycarbonyl piperazine,1-carbobenzoxypiperazine,n-cbz-piperazine,1-z-piperazine,1-piperazinecarboxylic acid, phenylmethyl ester,piperazine-1-carboxylic acid benzyl ester,phenylmethyl piperazinecarboxylate,cbz-piperazine |
| IUPAC Name | benzyl piperazine-1-carboxylate |
| InChI Key | CTOUWUYDDUSBQE-UHFFFAOYSA-O |
| Molecular Formula | C12H17N2O2 |
3-Methylisoxazole-5-carboxylic acid, 97%, Thermo Scientific™
CAS: 4857-42-5 Molecular Formula: C5H5NO3 Molecular Weight (g/mol): 127.099 MDL Number: MFCD00464222 InChI Key: HXIYCKAAQPHZBM-UHFFFAOYSA-N Synonym: 3-methylisoxazole-5-carboxylic acid,3-methyl-5-isoxazolecarboxylic acid,5-isoxazolecarboxylic acid, 3-methyl,3-methyl-isoxazole-5-carboxylic acid,5-carboxy-3-methylisoxazole,5-isoxazolecarboxylicacid, 3-methyl,3-methylisoxazole-5-carboxylicacid,acmc-1aruu,3-methyl-5-carboxyisoxazole,aronis24519 PubChem CID: 853085 IUPAC Name: 3-methyl-1,2-oxazole-5-carboxylic acid SMILES: CC1=NOC(=C1)C(=O)O
| PubChem CID | 853085 |
|---|---|
| CAS | 4857-42-5 |
| Molecular Weight (g/mol) | 127.099 |
| MDL Number | MFCD00464222 |
| SMILES | CC1=NOC(=C1)C(=O)O |
| Synonym | 3-methylisoxazole-5-carboxylic acid,3-methyl-5-isoxazolecarboxylic acid,5-isoxazolecarboxylic acid, 3-methyl,3-methyl-isoxazole-5-carboxylic acid,5-carboxy-3-methylisoxazole,5-isoxazolecarboxylicacid, 3-methyl,3-methylisoxazole-5-carboxylicacid,acmc-1aruu,3-methyl-5-carboxyisoxazole,aronis24519 |
| IUPAC Name | 3-methyl-1,2-oxazole-5-carboxylic acid |
| InChI Key | HXIYCKAAQPHZBM-UHFFFAOYSA-N |
| Molecular Formula | C5H5NO3 |
(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 |
2-(2-Methyl-1,3-thiazol-4-yl)benzoic acid, 97%, Thermo Scientific™
CAS: 65032-66-8 Molecular Formula: C11H9NO2S Molecular Weight (g/mol): 219.258 MDL Number: MFCD09879980 InChI Key: BNRSCIXYHUTATP-UHFFFAOYSA-N Synonym: 2-2-methyl-1,3-thiazol-4-yl benzoic acid,benzoic acid,2-2-methyl-4-thiazolyl,2-2-methylthiazol-4-yl benzoic acid,2-2-methyl-thiazol-4-yl-benzoic acid,4-2-carboxyphenyl-2-methyl-1,3-thiazole PubChem CID: 12384552 IUPAC Name: 2-(2-methyl-1,3-thiazol-4-yl)benzoic acid SMILES: CC1=NC(=CS1)C2=CC=CC=C2C(=O)O
| PubChem CID | 12384552 |
|---|---|
| CAS | 65032-66-8 |
| Molecular Weight (g/mol) | 219.258 |
| MDL Number | MFCD09879980 |
| SMILES | CC1=NC(=CS1)C2=CC=CC=C2C(=O)O |
| Synonym | 2-2-methyl-1,3-thiazol-4-yl benzoic acid,benzoic acid,2-2-methyl-4-thiazolyl,2-2-methylthiazol-4-yl benzoic acid,2-2-methyl-thiazol-4-yl-benzoic acid,4-2-carboxyphenyl-2-methyl-1,3-thiazole |
| IUPAC Name | 2-(2-methyl-1,3-thiazol-4-yl)benzoic acid |
| InChI Key | BNRSCIXYHUTATP-UHFFFAOYSA-N |
| Molecular Formula | C11H9NO2S |
(S)-(-)-1-BOC-3-aminopyrrolidine, 95%
CAS: 147081-44-5 Molecular Formula: C9H18N2O2 Molecular Weight (g/mol): 186.26 MDL Number: MFCD03419271 InChI Key: CMIBWIAICVBURI-UHFFFAOYNA-N Synonym: s-1-boc-3-aminopyrrolidine,s-3-amino-1-n-boc-pyrrolidine,s---1-boc-3-aminopyrrolidine,tert-butyl 3s-3-aminopyrrolidine-1-carboxylate,s-tert-butyl 3-aminopyrrolidine-1-carboxylate,s-3-amino-n-boc-pyrrolidine,s-bocap,s---1-tert-butoxycarbonyl-3-aminopyrrolidine,s-3-amino-1-boc-pyrrolidine,s---n-boc-3-aminopyrrolidine PubChem CID: 854071 IUPAC Name: tert-butyl (3S)-3-aminopyrrolidine-1-carboxylate SMILES: CC(C)(C)OC(=O)N1CCC(N)C1
| PubChem CID | 854071 |
|---|---|
| CAS | 147081-44-5 |
| Molecular Weight (g/mol) | 186.26 |
| MDL Number | MFCD03419271 |
| SMILES | CC(C)(C)OC(=O)N1CCC(N)C1 |
| Synonym | s-1-boc-3-aminopyrrolidine,s-3-amino-1-n-boc-pyrrolidine,s---1-boc-3-aminopyrrolidine,tert-butyl 3s-3-aminopyrrolidine-1-carboxylate,s-tert-butyl 3-aminopyrrolidine-1-carboxylate,s-3-amino-n-boc-pyrrolidine,s-bocap,s---1-tert-butoxycarbonyl-3-aminopyrrolidine,s-3-amino-1-boc-pyrrolidine,s---n-boc-3-aminopyrrolidine |
| IUPAC Name | tert-butyl (3S)-3-aminopyrrolidine-1-carboxylate |
| InChI Key | CMIBWIAICVBURI-UHFFFAOYNA-N |
| Molecular Formula | C9H18N2O2 |
Trazodone hydrochloride, 98+%
CAS: 25332-39-2 Molecular Formula: C19H23Cl2N5O Molecular Weight (g/mol): 408.327 MDL Number: MFCD00079603 InChI Key: OHHDIOKRWWOXMT-UHFFFAOYSA-N Synonym: trazodone hydrochloride,trazodone hcl,desyrel,bimaran,molipaxin,devidon,pragmazone,thombran,tombran,tritico PubChem CID: 62935 ChEBI: CHEBI:9655 IUPAC Name: 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride SMILES: C1CN(CCN1CCCN2C(=O)N3C=CC=CC3=N2)C4=CC(=CC=C4)Cl.Cl
| PubChem CID | 62935 |
|---|---|
| CAS | 25332-39-2 |
| Molecular Weight (g/mol) | 408.327 |
| ChEBI | CHEBI:9655 |
| MDL Number | MFCD00079603 |
| SMILES | C1CN(CCN1CCCN2C(=O)N3C=CC=CC3=N2)C4=CC(=CC=C4)Cl.Cl |
| Synonym | trazodone hydrochloride,trazodone hcl,desyrel,bimaran,molipaxin,devidon,pragmazone,thombran,tombran,tritico |
| IUPAC Name | 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride |
| InChI Key | OHHDIOKRWWOXMT-UHFFFAOYSA-N |
| Molecular Formula | C19H23Cl2N5O |
Methyl 4-aminonicotinate, 98%, Thermo Scientific Chemicals
CAS: 16135-36-7 Molecular Formula: C7H8N2O2 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00955996 InChI Key: OCARFFAPQGYGBP-UHFFFAOYSA-N Synonym: methyl 4-aminonicotinate,4-aminonicotinic acid methyl ester,4-amino-nicotinic acid methyl ester,4-aminopyridine-3-carboxylic acid methyl ester,3-pyridinecarboxylic acid, 4-amino-, methyl ester,nicotinic acid, 4-amino-, methyl ester,4-aminonicotinicacidmethylester,methyl-4-aminonicotinate,ksc493a3l,tpc-py097 PubChem CID: 592353 IUPAC Name: methyl 4-aminopyridine-3-carboxylate SMILES: COC(=O)C1=C(N)C=CN=C1
| PubChem CID | 592353 |
|---|---|
| CAS | 16135-36-7 |
| Molecular Weight (g/mol) | 152.15 |
| MDL Number | MFCD00955996 |
| SMILES | COC(=O)C1=C(N)C=CN=C1 |
| Synonym | methyl 4-aminonicotinate,4-aminonicotinic acid methyl ester,4-amino-nicotinic acid methyl ester,4-aminopyridine-3-carboxylic acid methyl ester,3-pyridinecarboxylic acid, 4-amino-, methyl ester,nicotinic acid, 4-amino-, methyl ester,4-aminonicotinicacidmethylester,methyl-4-aminonicotinate,ksc493a3l,tpc-py097 |
| IUPAC Name | methyl 4-aminopyridine-3-carboxylate |
| InChI Key | OCARFFAPQGYGBP-UHFFFAOYSA-N |
| Molecular Formula | C7H8N2O2 |
2-Amino-4-cyanopyridine, 97%
CAS: 42182-27-4 Molecular Formula: C6H5N3 Molecular Weight (g/mol): 119.127 MDL Number: MFCD03791310 InChI Key: GEEAYLFEIFJFGP-UHFFFAOYSA-N Synonym: 2-amino-4-cyanopyridine,2-aminoisonicotinonitrile,2-amino-isonicotinonitrile,pubchem7664,4-cyanopyridin-2-amine,4-cyano-2-aminopyridine,acmc-1art6,2-amino-4-cyano-pyridine,ksc490s3f,4-cyano-2-pyridinamine PubChem CID: 7015524 IUPAC Name: 2-aminopyridine-4-carbonitrile SMILES: C1=CN=C(C=C1C#N)N
| PubChem CID | 7015524 |
|---|---|
| CAS | 42182-27-4 |
| Molecular Weight (g/mol) | 119.127 |
| MDL Number | MFCD03791310 |
| SMILES | C1=CN=C(C=C1C#N)N |
| Synonym | 2-amino-4-cyanopyridine,2-aminoisonicotinonitrile,2-amino-isonicotinonitrile,pubchem7664,4-cyanopyridin-2-amine,4-cyano-2-aminopyridine,acmc-1art6,2-amino-4-cyano-pyridine,ksc490s3f,4-cyano-2-pyridinamine |
| IUPAC Name | 2-aminopyridine-4-carbonitrile |
| InChI Key | GEEAYLFEIFJFGP-UHFFFAOYSA-N |
| Molecular Formula | C6H5N3 |
Methyl isonicotinate, 98%
CAS: 9-8-2459 Molecular Formula: C7H7NO2 Molecular Weight (g/mol): 137.14 MDL Number: MFCD00006427 InChI Key: OLXYLDUSSBULGU-UHFFFAOYSA-N Synonym: methyl isonicotinate,isonicotinic acid methyl ester,4-pyridinecarboxylic acid, methyl ester,4-picolinic acid methyl ester,4-methoxycarbonylpyridine,methylisonicotinate,methyl 4-pyridinecarboxylate,4-carbomethoxypyridine,isonicotinic acid, methyl ester,i-nicotinic acid, methyl ester PubChem CID: 227085 IUPAC Name: methyl pyridine-4-carboxylate SMILES: COC(=O)C1=CC=NC=C1
| PubChem CID | 227085 |
|---|---|
| CAS | 9-8-2459 |
| Molecular Weight (g/mol) | 137.14 |
| MDL Number | MFCD00006427 |
| SMILES | COC(=O)C1=CC=NC=C1 |
| Synonym | methyl isonicotinate,isonicotinic acid methyl ester,4-pyridinecarboxylic acid, methyl ester,4-picolinic acid methyl ester,4-methoxycarbonylpyridine,methylisonicotinate,methyl 4-pyridinecarboxylate,4-carbomethoxypyridine,isonicotinic acid, methyl ester,i-nicotinic acid, methyl ester |
| IUPAC Name | methyl pyridine-4-carboxylate |
| InChI Key | OLXYLDUSSBULGU-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO2 |
Thermo Scientific Chemicals 4-Thiouracil, 97%
CAS: 591-28-6 Molecular Formula: C4H4N2OS Molecular Weight (g/mol): 128.15 MDL Number: MFCD00090842 InChI Key: OVONXEQGWXGFJD-UHFFFAOYSA-N Synonym: 4-thiouracil,2-hydroxy-4 1h-pyrimidinethione,4-thioxo-3,4-dihydropyrimidin-2 1h-one,2-hydroxy-4-mercaptopyrimidine,uracil, 4-thio,4-mercaptopyrimidin-2-ol,4-sulfanylpyrimidin-2-ol,2-hydroxy-4-thiopyrimidine,2 1h-pyrimidinone, 3,4-dihydro-4-thioxo,2 1h-pyrimidinone, 4-mercapto-9ci PubChem CID: 2734394 IUPAC Name: 4-sulfanylidene-1H-pyrimidin-2-one SMILES: O=C1NC=CC(=S)N1
| PubChem CID | 2734394 |
|---|---|
| CAS | 591-28-6 |
| Molecular Weight (g/mol) | 128.15 |
| MDL Number | MFCD00090842 |
| SMILES | O=C1NC=CC(=S)N1 |
| Synonym | 4-thiouracil,2-hydroxy-4 1h-pyrimidinethione,4-thioxo-3,4-dihydropyrimidin-2 1h-one,2-hydroxy-4-mercaptopyrimidine,uracil, 4-thio,4-mercaptopyrimidin-2-ol,4-sulfanylpyrimidin-2-ol,2-hydroxy-4-thiopyrimidine,2 1h-pyrimidinone, 3,4-dihydro-4-thioxo,2 1h-pyrimidinone, 4-mercapto-9ci |
| IUPAC Name | 4-sulfanylidene-1H-pyrimidin-2-one |
| InChI Key | OVONXEQGWXGFJD-UHFFFAOYSA-N |
| Molecular Formula | C4H4N2OS |
7-Ethylindole, 98+%
CAS: 22867-74-9 Molecular Formula: C10H11N Molecular Weight (g/mol): 145.21 MDL Number: MFCD00143514 InChI Key: PIIZLMYXLGYWTN-UHFFFAOYSA-N Synonym: 7-ethylindole,1h-indole, 7-ethyl,7-ethyl indole,pubchem7338,acmc-1cfby,7-ethylindole gc PubChem CID: 2724711 IUPAC Name: 7-ethyl-1H-indole SMILES: CCC1=C2NC=CC2=CC=C1
| PubChem CID | 2724711 |
|---|---|
| CAS | 22867-74-9 |
| Molecular Weight (g/mol) | 145.21 |
| MDL Number | MFCD00143514 |
| SMILES | CCC1=C2NC=CC2=CC=C1 |
| Synonym | 7-ethylindole,1h-indole, 7-ethyl,7-ethyl indole,pubchem7338,acmc-1cfby,7-ethylindole gc |
| IUPAC Name | 7-ethyl-1H-indole |
| InChI Key | PIIZLMYXLGYWTN-UHFFFAOYSA-N |
| Molecular Formula | C10H11N |
Indole-3-acetic Acid, 98%, Spectrum™ Chemical
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CAS: 87-51-4
| CAS | 87-51-4 |
|---|
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 |