Organoheterocyclic compounds
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Tryptamine hydrochloride, 98%
CAS: 343-94-2 Molecular Formula: C10H12N2·HCl Molecular Weight (g/mol): 196.68 MDL Number: MFCD00012682 InChI Key: KDFBGNBTTMPNIG-UHFFFAOYSA-N Synonym: tryptamine hydrochloride,3-2-aminoethyl indole hydrochloride,2-1h-indol-3-yl ethanamine hydrochloride,1h-indole-3-ethanamine, monohydrochloride,tryptamine monohydrochloride,tryptaminehydrochloride,ccris 4419,indole-3-ethylamine hydrochloride,3-2-aminoethyl-1h-indole monohydrochloride,beta-indole-ethylamine hydrochloride PubChem CID: 67652 IUPAC Name: 2-(1H-indol-3-yl)ethanamine;hydrochloride SMILES: C1=CC=C2C(=C1)C(=CN2)CCN.Cl
| PubChem CID | 67652 |
|---|---|
| CAS | 343-94-2 |
| Molecular Weight (g/mol) | 196.68 |
| MDL Number | MFCD00012682 |
| SMILES | C1=CC=C2C(=C1)C(=CN2)CCN.Cl |
| Synonym | tryptamine hydrochloride,3-2-aminoethyl indole hydrochloride,2-1h-indol-3-yl ethanamine hydrochloride,1h-indole-3-ethanamine, monohydrochloride,tryptamine monohydrochloride,tryptaminehydrochloride,ccris 4419,indole-3-ethylamine hydrochloride,3-2-aminoethyl-1h-indole monohydrochloride,beta-indole-ethylamine hydrochloride |
| IUPAC Name | 2-(1H-indol-3-yl)ethanamine;hydrochloride |
| InChI Key | KDFBGNBTTMPNIG-UHFFFAOYSA-N |
| Molecular Formula | C10H12N2·HCl |
2-Amino-5-methyl-1,3,4-thiadiazole, 97%
CAS: 108-33-8 Molecular Formula: C3H5N3S Molecular Weight (g/mol): 115.15 MDL Number: MFCD00003110 InChI Key: HMPUHXCGUHDVBI-UHFFFAOYSA-N Synonym: 2-amino-5-methyl-1,3,4-thiadiazole,2-amino-5-methylthiadiazole,matd,usaf cy-3,1,3,4-thiadiazol-2-amine, 5-methyl,5-methyl-1,3,4 thiadiazol-2-ylamine,1,3,4-thiadiazole, 2-amino-5-methyl,5-methyl-1,3,4-thiadiazole-2-amine,5-methyl-1,3,4-thiadiazol-2-ylamine,1,4-thiadiazol-2-amine, 5-methyl PubChem CID: 66949 IUPAC Name: 5-methyl-1,3,4-thiadiazol-2-amine SMILES: CC1=NN=C(N)S1
| PubChem CID | 66949 |
|---|---|
| CAS | 108-33-8 |
| Molecular Weight (g/mol) | 115.15 |
| MDL Number | MFCD00003110 |
| SMILES | CC1=NN=C(N)S1 |
| Synonym | 2-amino-5-methyl-1,3,4-thiadiazole,2-amino-5-methylthiadiazole,matd,usaf cy-3,1,3,4-thiadiazol-2-amine, 5-methyl,5-methyl-1,3,4 thiadiazol-2-ylamine,1,3,4-thiadiazole, 2-amino-5-methyl,5-methyl-1,3,4-thiadiazole-2-amine,5-methyl-1,3,4-thiadiazol-2-ylamine,1,4-thiadiazol-2-amine, 5-methyl |
| IUPAC Name | 5-methyl-1,3,4-thiadiazol-2-amine |
| InChI Key | HMPUHXCGUHDVBI-UHFFFAOYSA-N |
| Molecular Formula | C3H5N3S |
Citrazinic acid, 98%
CAS: 99-11-6 Molecular Formula: C6H5NO4 Molecular Weight (g/mol): 155.11 MDL Number: MFCD00006274 InChI Key: CSGQJHQYWJLPKY-UHFFFAOYSA-N Synonym: citrazinic acid,2,6-dihydroxyisonicotinic acid,2,6-dihydroxypyridine-4-carboxylic acid,2,6-dihydroxy-4-carboxypyridine,2,6-dihydroxy-4-pyridinecarboxylic acid,kyselina citrazinova,2,6-dihydroxyisonicotinate,4-pyridinecarboxylic acid, 2,6-dihydroxy,citrazinicacid,4-pyridinecarboxylic acid, 1,2-dihydro-6-hydroxy-2-oxo PubChem CID: 7425 IUPAC Name: 2-hydroxy-6-oxo-1H-pyridine-4-carboxylic acid SMILES: OC(=O)C1=CC(=O)NC(O)=C1
| PubChem CID | 7425 |
|---|---|
| CAS | 99-11-6 |
| Molecular Weight (g/mol) | 155.11 |
| MDL Number | MFCD00006274 |
| SMILES | OC(=O)C1=CC(=O)NC(O)=C1 |
| Synonym | citrazinic acid,2,6-dihydroxyisonicotinic acid,2,6-dihydroxypyridine-4-carboxylic acid,2,6-dihydroxy-4-carboxypyridine,2,6-dihydroxy-4-pyridinecarboxylic acid,kyselina citrazinova,2,6-dihydroxyisonicotinate,4-pyridinecarboxylic acid, 2,6-dihydroxy,citrazinicacid,4-pyridinecarboxylic acid, 1,2-dihydro-6-hydroxy-2-oxo |
| IUPAC Name | 2-hydroxy-6-oxo-1H-pyridine-4-carboxylic acid |
| InChI Key | CSGQJHQYWJLPKY-UHFFFAOYSA-N |
| Molecular Formula | C6H5NO4 |
3-Pyrimidin-2-ylaniline, 97%, Thermo Scientific™
CAS: 69491-56-1 Molecular Formula: C10H9N3 Molecular Weight (g/mol): 171.203 MDL Number: MFCD09702385 InChI Key: GOCBKTKLGFLECW-UHFFFAOYSA-N Synonym: 3-pyrimidin-2-yl aniline,3-pyrimidin-2-ylphenylamine,2-3-aminophenyl pyrimidine,2-3-aminophenyl-1,3-diazine,benzenamine, 3-2-pyrimidinyl PubChem CID: 12456169 IUPAC Name: 3-pyrimidin-2-ylaniline SMILES: C1=CC(=CC(=C1)N)C2=NC=CC=N2
| PubChem CID | 12456169 |
|---|---|
| CAS | 69491-56-1 |
| Molecular Weight (g/mol) | 171.203 |
| MDL Number | MFCD09702385 |
| SMILES | C1=CC(=CC(=C1)N)C2=NC=CC=N2 |
| Synonym | 3-pyrimidin-2-yl aniline,3-pyrimidin-2-ylphenylamine,2-3-aminophenyl pyrimidine,2-3-aminophenyl-1,3-diazine,benzenamine, 3-2-pyrimidinyl |
| IUPAC Name | 3-pyrimidin-2-ylaniline |
| InChI Key | GOCBKTKLGFLECW-UHFFFAOYSA-N |
| Molecular Formula | C10H9N3 |
Pyridine-N-oxide, 95%
CAS: 694-59-7 Molecular Formula: C5H5NO Molecular Weight (g/mol): 95.1 MDL Number: MFCD00006194 InChI Key: ILVXOBCQQYKLDS-UHFFFAOYSA-N Synonym: pyridine-n-oxide,pyridine 1-oxide,pyridine n-oxide,pyridine oxide,pyridine, 1-oxide,pyridine-1-oxide,unii-91f12jjj4h,py n-oxide,pyridin-1-ium-1-olate,pyridine-oxide PubChem CID: 12753 ChEBI: CHEBI:29136 IUPAC Name: 1-oxidopyridin-1-ium SMILES: C1=CC=[N+](C=C1)[O-]
| PubChem CID | 12753 |
|---|---|
| CAS | 694-59-7 |
| Molecular Weight (g/mol) | 95.1 |
| ChEBI | CHEBI:29136 |
| MDL Number | MFCD00006194 |
| SMILES | C1=CC=[N+](C=C1)[O-] |
| Synonym | pyridine-n-oxide,pyridine 1-oxide,pyridine n-oxide,pyridine oxide,pyridine, 1-oxide,pyridine-1-oxide,unii-91f12jjj4h,py n-oxide,pyridin-1-ium-1-olate,pyridine-oxide |
| IUPAC Name | 1-oxidopyridin-1-ium |
| InChI Key | ILVXOBCQQYKLDS-UHFFFAOYSA-N |
| Molecular Formula | C5H5NO |
5-Methylindole, 99%
CAS: 614-96-0 Molecular Formula: C9H9N Molecular Weight (g/mol): 131.178 MDL Number: MFCD00005680 InChI Key: YPKBCLZFIYBSHK-UHFFFAOYSA-N Synonym: 5-methylindole,1h-indole, 5-methyl,5-methylindol,indole, 5-methyl,5-methyl indole,unii-kt52363ri5,5-methyl-indole,indole, 2,pubchem7238 PubChem CID: 11978 IUPAC Name: 5-methyl-1H-indole SMILES: CC1=CC2=C(C=C1)NC=C2
| PubChem CID | 11978 |
|---|---|
| CAS | 614-96-0 |
| Molecular Weight (g/mol) | 131.178 |
| MDL Number | MFCD00005680 |
| SMILES | CC1=CC2=C(C=C1)NC=C2 |
| Synonym | 5-methylindole,1h-indole, 5-methyl,5-methylindol,indole, 5-methyl,5-methyl indole,unii-kt52363ri5,5-methyl-indole,indole, 2,pubchem7238 |
| IUPAC Name | 5-methyl-1H-indole |
| InChI Key | YPKBCLZFIYBSHK-UHFFFAOYSA-N |
| Molecular Formula | C9H9N |
| CAS | 366-18-7 |
|---|
1-(3,6-Dibromo-9H-carbazol-9-yl)-3-(dimethylamino)propan-2-ol, 97%, Thermo Scientific™
CAS: 253449-04-6 Molecular Formula: C17H18Br2N2O Molecular Weight (g/mol): 426.15 MDL Number: MFCD00218393 InChI Key: XUBJEDZHBUPBKL-UHFFFAOYNA-N Synonym: wiskostatin,1-3,6-dibromo-9h-carbazol-9-yl-3-dimethylamino propan-2-ol,1-3,6-dibromocarbazol-9-yl-3-dimethylamino propan-2-ol,maybridge1_002006,1-3,6-dibromo-9-carbazolyl-3-dimethylamino-2-propanol,1-3,6-dibromo-9h-carbazol-9-yl-3-dimethylamino,1-3,6-dibromo-carbazol-9-yl-3-dimethylamino-propan-2-ol,3,6-dibromo-?-dimethylamino methyl-9h-cabazole-9-ethanol,1-3,6-dibromo-9h-carbazol-9-yl-3-dimethylamino propan-2ol,1-3,6-bis bromanyl carbazol-9-yl-3-dimethylamino propan-2-ol PubChem CID: 2775510 ChEBI: CHEBI:78012 SMILES: CN(C)CC(O)CN1C2=C(C=C(Br)C=C2)C2=C1C=CC(Br)=C2
| PubChem CID | 2775510 |
|---|---|
| CAS | 253449-04-6 |
| Molecular Weight (g/mol) | 426.15 |
| ChEBI | CHEBI:78012 |
| MDL Number | MFCD00218393 |
| SMILES | CN(C)CC(O)CN1C2=C(C=C(Br)C=C2)C2=C1C=CC(Br)=C2 |
| Synonym | wiskostatin,1-3,6-dibromo-9h-carbazol-9-yl-3-dimethylamino propan-2-ol,1-3,6-dibromocarbazol-9-yl-3-dimethylamino propan-2-ol,maybridge1_002006,1-3,6-dibromo-9-carbazolyl-3-dimethylamino-2-propanol,1-3,6-dibromo-9h-carbazol-9-yl-3-dimethylamino,1-3,6-dibromo-carbazol-9-yl-3-dimethylamino-propan-2-ol,3,6-dibromo-?-dimethylamino methyl-9h-cabazole-9-ethanol,1-3,6-dibromo-9h-carbazol-9-yl-3-dimethylamino propan-2ol,1-3,6-bis bromanyl carbazol-9-yl-3-dimethylamino propan-2-ol |
| InChI Key | XUBJEDZHBUPBKL-UHFFFAOYNA-N |
| Molecular Formula | C17H18Br2N2O |
4,5-Dichloropyridazin-3(2H)-one, 98%
CAS: 932-22-9 Molecular Formula: C4H2Cl2N2O Molecular Weight (g/mol): 164.97 MDL Number: MFCD00051504 InChI Key: VJWXIRQLLGYIDI-UHFFFAOYSA-N Synonym: 4,5-dichloro-3 2h-pyridazinone,4,5-dichloropyridazin-3 2h-one,3 2h-pyridazinone, 4,5-dichloro,4,5-dichloropyridazin-3-ol,4,5-dichloro-2h-pyridazin-3-one,4,5-dichloro-3-hydroxypyridazine,4,5-dichloro-2,3-dihydropyridazin-3-one,4,5-dichloro-pyridazin-3-ol,4,5-dichloro-3-pyridazinol PubChem CID: 73247 SMILES: ClC1=C(Cl)C(=O)NN=C1
| PubChem CID | 73247 |
|---|---|
| CAS | 932-22-9 |
| Molecular Weight (g/mol) | 164.97 |
| MDL Number | MFCD00051504 |
| SMILES | ClC1=C(Cl)C(=O)NN=C1 |
| Synonym | 4,5-dichloro-3 2h-pyridazinone,4,5-dichloropyridazin-3 2h-one,3 2h-pyridazinone, 4,5-dichloro,4,5-dichloropyridazin-3-ol,4,5-dichloro-2h-pyridazin-3-one,4,5-dichloro-3-hydroxypyridazine,4,5-dichloro-2,3-dihydropyridazin-3-one,4,5-dichloro-pyridazin-3-ol,4,5-dichloro-3-pyridazinol |
| InChI Key | VJWXIRQLLGYIDI-UHFFFAOYSA-N |
| Molecular Formula | C4H2Cl2N2O |
Methyl tetrahydro-4-oxo-2H-thiopyran-3-carboxylate, 95%
CAS: 4160-61-6 Molecular Formula: C7H10O3S Molecular Weight (g/mol): 174.22 InChI Key: MCUXKFHPGMEIIW-UHFFFAOYSA-N Synonym: methyl 4-oxotetrahydro-2h-thiopyran-3-carboxylate,methyl tetrahydro-4-oxo-2h-thiopyran-3-carboxylate,methyl 4-oxotetrahydrothiopyran-3-carboxylate,2h-thiopyran-3-carboxylic acid, tetrahydro-4-oxo-, methyl ester,methyl4-oxotetrahydro-2h-thiopyran-3-carboxylate,methyl-4-oxotetrahydro-2h-thiopyran-3-carboxylate,2,3,5,6-tetrahydro-3-carbomethoxythiopyran-4-one,4-oxotetrahydro-2h-thiopyran-3-carbonsauremethylester,4-oxotetrahydro-2h-thiopyran-3-carboxylic acid methyl ester,4-oxo-tetrahydro-thiopyran-3-carboxylic acid methyl ester PubChem CID: 10374916 IUPAC Name: methyl 4-oxothiane-3-carboxylate SMILES: COC(=O)C1CSCCC1=O
| PubChem CID | 10374916 |
|---|---|
| CAS | 4160-61-6 |
| Molecular Weight (g/mol) | 174.22 |
| SMILES | COC(=O)C1CSCCC1=O |
| Synonym | methyl 4-oxotetrahydro-2h-thiopyran-3-carboxylate,methyl tetrahydro-4-oxo-2h-thiopyran-3-carboxylate,methyl 4-oxotetrahydrothiopyran-3-carboxylate,2h-thiopyran-3-carboxylic acid, tetrahydro-4-oxo-, methyl ester,methyl4-oxotetrahydro-2h-thiopyran-3-carboxylate,methyl-4-oxotetrahydro-2h-thiopyran-3-carboxylate,2,3,5,6-tetrahydro-3-carbomethoxythiopyran-4-one,4-oxotetrahydro-2h-thiopyran-3-carbonsauremethylester,4-oxotetrahydro-2h-thiopyran-3-carboxylic acid methyl ester,4-oxo-tetrahydro-thiopyran-3-carboxylic acid methyl ester |
| IUPAC Name | methyl 4-oxothiane-3-carboxylate |
| InChI Key | MCUXKFHPGMEIIW-UHFFFAOYSA-N |
| Molecular Formula | C7H10O3S |
5-Bromo-2-thiophenecarboxaldehyde, 97%
CAS: 4701-17-1 Molecular Formula: C5H3BrOS Molecular Weight (g/mol): 191.04 MDL Number: MFCD00005432 InChI Key: GFBVUFQNHLUCPX-UHFFFAOYSA-N Synonym: 5-bromo-2-thiophenecarboxaldehyde,5-bromothiophene-2-carboxaldehyde,5-bromo-2-thiophenecarbaldehyde,5-bromothenaldehyde,5-bromo-2-formylthiophene,5-bromo-thiophene-2-carbaldehyde,2-bromo-5-formylthiophene,2-thiophenecarboxaldehyde, 5-bromo,2-bromo-5-thiophenecarboxaldehyde,5-bromothiophene-2-aldehyde PubChem CID: 78428 IUPAC Name: 5-bromothiophene-2-carbaldehyde SMILES: BrC1=CC=C(S1)C=O
| PubChem CID | 78428 |
|---|---|
| CAS | 4701-17-1 |
| Molecular Weight (g/mol) | 191.04 |
| MDL Number | MFCD00005432 |
| SMILES | BrC1=CC=C(S1)C=O |
| Synonym | 5-bromo-2-thiophenecarboxaldehyde,5-bromothiophene-2-carboxaldehyde,5-bromo-2-thiophenecarbaldehyde,5-bromothenaldehyde,5-bromo-2-formylthiophene,5-bromo-thiophene-2-carbaldehyde,2-bromo-5-formylthiophene,2-thiophenecarboxaldehyde, 5-bromo,2-bromo-5-thiophenecarboxaldehyde,5-bromothiophene-2-aldehyde |
| IUPAC Name | 5-bromothiophene-2-carbaldehyde |
| InChI Key | GFBVUFQNHLUCPX-UHFFFAOYSA-N |
| Molecular Formula | C5H3BrOS |
4-Pyrimidin-2-ylaniline, 95%, Thermo Scientific™
CAS: 69491-57-2 Molecular Formula: C10H9N3 Molecular Weight (g/mol): 171.203 MDL Number: MFCD09817490 InChI Key: RUVNVJCKWOOLOH-UHFFFAOYSA-N PubChem CID: 12456170 IUPAC Name: 4-pyrimidin-2-ylaniline SMILES: C1=CN=C(N=C1)C2=CC=C(C=C2)N
| PubChem CID | 12456170 |
|---|---|
| CAS | 69491-57-2 |
| Molecular Weight (g/mol) | 171.203 |
| MDL Number | MFCD09817490 |
| SMILES | C1=CN=C(N=C1)C2=CC=C(C=C2)N |
| IUPAC Name | 4-pyrimidin-2-ylaniline |
| InChI Key | RUVNVJCKWOOLOH-UHFFFAOYSA-N |
| Molecular Formula | C10H9N3 |
Ethyl 6-bromo-2-methylquinoline-4-carboxylate, 97%, Thermo Scientific™
CAS: 62482-30-8 Molecular Formula: C13H12BrNO2 Molecular Weight (g/mol): 294.15 MDL Number: MFCD00115248 InChI Key: KOVIYCANWGLBHA-UHFFFAOYSA-N Synonym: maybridge1_000196,2-methyl-6-bromoquinoline-4-carboxylic acid ethyl ester PubChem CID: 305135 IUPAC Name: ethyl 6-bromo-2-methylquinoline-4-carboxylate SMILES: CCOC(=O)C1=C2C=C(Br)C=CC2=NC(C)=C1
| PubChem CID | 305135 |
|---|---|
| CAS | 62482-30-8 |
| Molecular Weight (g/mol) | 294.15 |
| MDL Number | MFCD00115248 |
| SMILES | CCOC(=O)C1=C2C=C(Br)C=CC2=NC(C)=C1 |
| Synonym | maybridge1_000196,2-methyl-6-bromoquinoline-4-carboxylic acid ethyl ester |
| IUPAC Name | ethyl 6-bromo-2-methylquinoline-4-carboxylate |
| InChI Key | KOVIYCANWGLBHA-UHFFFAOYSA-N |
| Molecular Formula | C13H12BrNO2 |
2-(1H-1,2,4-triazol-1-ylmethyl)aniline, 97%, Thermo Scientific™
CAS: 127988-21-0 Molecular Formula: C9H10N4 Molecular Weight (g/mol): 174.207 MDL Number: MFCD09025845 InChI Key: CBGQHZNXHUCAGE-UHFFFAOYSA-N Synonym: 2-1h-1,2,4-triazol-1-ylmethyl aniline,2-1,2,4-triazol-1-yl methyl aniline,2-1,2,4-triazol-1-ylmethyl aniline,2-1h-1,2,4-triazol-1-ylmethyl benzeneamine,benzenamine,2-1h-1,2,4-triazol-1-ylmethyl,acmc-20msof,2-1,2,4-triazolylmethyl phenylamine PubChem CID: 6482003 IUPAC Name: 2-(1,2,4-triazol-1-ylmethyl)aniline SMILES: C1=CC=C(C(=C1)CN2C=NC=N2)N
| PubChem CID | 6482003 |
|---|---|
| CAS | 127988-21-0 |
| Molecular Weight (g/mol) | 174.207 |
| MDL Number | MFCD09025845 |
| SMILES | C1=CC=C(C(=C1)CN2C=NC=N2)N |
| Synonym | 2-1h-1,2,4-triazol-1-ylmethyl aniline,2-1,2,4-triazol-1-yl methyl aniline,2-1,2,4-triazol-1-ylmethyl aniline,2-1h-1,2,4-triazol-1-ylmethyl benzeneamine,benzenamine,2-1h-1,2,4-triazol-1-ylmethyl,acmc-20msof,2-1,2,4-triazolylmethyl phenylamine |
| IUPAC Name | 2-(1,2,4-triazol-1-ylmethyl)aniline |
| InChI Key | CBGQHZNXHUCAGE-UHFFFAOYSA-N |
| Molecular Formula | C9H10N4 |
2-(1-Naphthyl)-5-phenyloxazole, laser grade and suitable for scintillation spectrometry, 99+%
CAS: 846-63-9 Molecular Formula: C19H13NO Molecular Weight (g/mol): 271.319 MDL Number: MFCD00019714 InChI Key: WWVFJJKBBZXWFV-UHFFFAOYSA-N Synonym: 2-1-naphthyl-5-phenyloxazole,alpha-npo,oxazole, 2-1-naphthalenyl-5-phenyl,2-1-naphthyl-5-phenyl-1,3-oxazole,2-naphthalen-1-yl-5-phenyloxazole,oxazole, 2-1-naphthyl-5-phenyl,.alpha.-npo,anpo,2-alpha-naphthyl-5-phenyloxazole,2-naphthalen-1-yl-5-phenyl-1,3-oxazole PubChem CID: 70058 IUPAC Name: 2-naphthalen-1-yl-5-phenyl-1,3-oxazole SMILES: C1=CC=C(C=C1)C2=CN=C(O2)C3=CC=CC4=CC=CC=C43
| PubChem CID | 70058 |
|---|---|
| CAS | 846-63-9 |
| Molecular Weight (g/mol) | 271.319 |
| MDL Number | MFCD00019714 |
| SMILES | C1=CC=C(C=C1)C2=CN=C(O2)C3=CC=CC4=CC=CC=C43 |
| Synonym | 2-1-naphthyl-5-phenyloxazole,alpha-npo,oxazole, 2-1-naphthalenyl-5-phenyl,2-1-naphthyl-5-phenyl-1,3-oxazole,2-naphthalen-1-yl-5-phenyloxazole,oxazole, 2-1-naphthyl-5-phenyl,.alpha.-npo,anpo,2-alpha-naphthyl-5-phenyloxazole,2-naphthalen-1-yl-5-phenyl-1,3-oxazole |
| IUPAC Name | 2-naphthalen-1-yl-5-phenyl-1,3-oxazole |
| InChI Key | WWVFJJKBBZXWFV-UHFFFAOYSA-N |
| Molecular Formula | C19H13NO |