Organoheterocyclic compounds
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5-(Hydroxymethyl)uracil, 98%
CAS: 4433-40-3 Molecular Formula: C5H6N2O3 Molecular Weight (g/mol): 142.11 MDL Number: MFCD00056024 InChI Key: JDBGXEHEIRGOBU-UHFFFAOYSA-N Synonym: 5-hydroxymethyluracil,5-hydroxymethyl uracil,5-hydroxymethyl pyrimidine-2,4 1h,3h-dione,5-oxymethyluracil,4-methyl-5-oxyuracil,uracil, 5-hydroxymethyl,2,4 1h,3h-pyrimidinedione, 5-hydroxymethyl,thymine, alpha-hydroxy,5-hydroxymethyl-2,4 1h,3h-pyrimidinedione PubChem CID: 78168 ChEBI: CHEBI:16964 IUPAC Name: 5-(hydroxymethyl)-1H-pyrimidine-2,4-dione SMILES: OCC1=CNC(=O)NC1=O
| PubChem CID | 78168 |
|---|---|
| CAS | 4433-40-3 |
| Molecular Weight (g/mol) | 142.11 |
| ChEBI | CHEBI:16964 |
| MDL Number | MFCD00056024 |
| SMILES | OCC1=CNC(=O)NC1=O |
| Synonym | 5-hydroxymethyluracil,5-hydroxymethyl uracil,5-hydroxymethyl pyrimidine-2,4 1h,3h-dione,5-oxymethyluracil,4-methyl-5-oxyuracil,uracil, 5-hydroxymethyl,2,4 1h,3h-pyrimidinedione, 5-hydroxymethyl,thymine, alpha-hydroxy,5-hydroxymethyl-2,4 1h,3h-pyrimidinedione |
| IUPAC Name | 5-(hydroxymethyl)-1H-pyrimidine-2,4-dione |
| InChI Key | JDBGXEHEIRGOBU-UHFFFAOYSA-N |
| Molecular Formula | C5H6N2O3 |
Fluorouracil, USP, 98-102%, Spectrum™ Chemical
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CAS: 51-21-8 Molecular Formula: C4H3FN2O2 Molecular Weight (g/mol): 130.08 MDL Number: MFCD00006018 InChI Key: GHASVSINZRGABV-UHFFFAOYSA-N IUPAC Name: 5-fluoro-1,2,3,4-tetrahydropyrimidine-2,4-dione SMILES: FC1=CNC(=O)NC1=O
| CAS | 51-21-8 |
|---|---|
| Molecular Weight (g/mol) | 130.08 |
| MDL Number | MFCD00006018 |
| SMILES | FC1=CNC(=O)NC1=O |
| IUPAC Name | 5-fluoro-1,2,3,4-tetrahydropyrimidine-2,4-dione |
| InChI Key | GHASVSINZRGABV-UHFFFAOYSA-N |
| Molecular Formula | C4H3FN2O2 |
5-chloro-2-(methylthio)pyrimidine-4-carboxylic acid, 97%, Thermo Scientific™
CAS: 61727-33-1 Molecular Formula: C6H5ClN2O2S Molecular Weight (g/mol): 204.628 MDL Number: MFCD00173907 InChI Key: SEPCYCDQJZTPHO-UHFFFAOYSA-N Synonym: 5-chloro-2-methylthio pyrimidine-4-carboxylic acid,5-chloro-2-methylsulfanyl pyrimidine-4-carboxylic acid,4-pyrimidinecarboxylic acid, 5-chloro-2-methylthio,5-chloro-2-methylsulfanyl-pyrimidine-4-carboxylic acid,4-carboxy-5-chloro-2-methylthio pyrimidine,5-chloro-2-methylthio-4-pyrimidinecarboxylic acid,5-chloro-2-methylthiopyrimidine-4-carboxylic acid,zlchem 91,oleosol fast red bl,oleosol fast red gl PubChem CID: 725711 IUPAC Name: 5-chloro-2-methylsulfanylpyrimidine-4-carboxylic acid SMILES: CSC1=NC=C(C(=N1)C(=O)O)Cl
| PubChem CID | 725711 |
|---|---|
| CAS | 61727-33-1 |
| Molecular Weight (g/mol) | 204.628 |
| MDL Number | MFCD00173907 |
| SMILES | CSC1=NC=C(C(=N1)C(=O)O)Cl |
| Synonym | 5-chloro-2-methylthio pyrimidine-4-carboxylic acid,5-chloro-2-methylsulfanyl pyrimidine-4-carboxylic acid,4-pyrimidinecarboxylic acid, 5-chloro-2-methylthio,5-chloro-2-methylsulfanyl-pyrimidine-4-carboxylic acid,4-carboxy-5-chloro-2-methylthio pyrimidine,5-chloro-2-methylthio-4-pyrimidinecarboxylic acid,5-chloro-2-methylthiopyrimidine-4-carboxylic acid,zlchem 91,oleosol fast red bl,oleosol fast red gl |
| IUPAC Name | 5-chloro-2-methylsulfanylpyrimidine-4-carboxylic acid |
| InChI Key | SEPCYCDQJZTPHO-UHFFFAOYSA-N |
| Molecular Formula | C6H5ClN2O2S |
Thiamine Mononitrate, USP, 98-102%, Spectrum™ Chemical
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CAS: 532-43-4 Molecular Formula: C12H17N5O4S Molecular Weight (g/mol): 327.36 MDL Number: MFCD00036330 InChI Key: UIERGBJEBXXIGO-UHFFFAOYSA-N IUPAC Name: 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-3H-1λ4,3-thiazol-1-ylium nitrate SMILES: [O-][N+]([O-])=O.CC1=C(CCO)[S+]=CN1CC1=CN=C(C)N=C1N
| CAS | 532-43-4 |
|---|---|
| Molecular Weight (g/mol) | 327.36 |
| MDL Number | MFCD00036330 |
| SMILES | [O-][N+]([O-])=O.CC1=C(CCO)[S+]=CN1CC1=CN=C(C)N=C1N |
| IUPAC Name | 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-3H-1λ4,3-thiazol-1-ylium nitrate |
| InChI Key | UIERGBJEBXXIGO-UHFFFAOYSA-N |
| Molecular Formula | C12H17N5O4S |
4-chloro-5-methyl-6-phenylthieno[2,3-d]pyrimidine, 97%, Thermo Scientific™
CAS: 306934-78-1 Molecular Formula: C13H9ClN2S Molecular Weight (g/mol): 260.74 MDL Number: MFCD02179828 InChI Key: LRTKDTZXCFGPEU-UHFFFAOYSA-N Synonym: 4-chloro-5-methyl-6-phenylthieno 2,3-d pyrimidine,4-chloro-5-methyl-6-phenylthiopheno 2,3-d pyrimidine,thieno 2,3-d pyrimidine,4-chloro-5-methyl-6-phenyl,4-chloranyl-5-methyl-6-phenyl-thieno 2,3-d pyrimidine PubChem CID: 2735772 IUPAC Name: 4-chloro-5-methyl-6-phenylthieno[2,3-d]pyrimidine SMILES: CC1=C(SC2=NC=NC(Cl)=C12)C1=CC=CC=C1
| PubChem CID | 2735772 |
|---|---|
| CAS | 306934-78-1 |
| Molecular Weight (g/mol) | 260.74 |
| MDL Number | MFCD02179828 |
| SMILES | CC1=C(SC2=NC=NC(Cl)=C12)C1=CC=CC=C1 |
| Synonym | 4-chloro-5-methyl-6-phenylthieno 2,3-d pyrimidine,4-chloro-5-methyl-6-phenylthiopheno 2,3-d pyrimidine,thieno 2,3-d pyrimidine,4-chloro-5-methyl-6-phenyl,4-chloranyl-5-methyl-6-phenyl-thieno 2,3-d pyrimidine |
| IUPAC Name | 4-chloro-5-methyl-6-phenylthieno[2,3-d]pyrimidine |
| InChI Key | LRTKDTZXCFGPEU-UHFFFAOYSA-N |
| Molecular Formula | C13H9ClN2S |
4-Chloro-5-phenylthieno[2,3-d]pyrimidine, 98%, Thermo Scientific Chemicals
CAS: 182198-35-2 Molecular Formula: C12H7ClN2S Molecular Weight (g/mol): 246.71 MDL Number: MFCD00218029 InChI Key: WONOKVSIDWOIGC-UHFFFAOYSA-N Synonym: 4-chloro-5-phenylthieno 2,3-d pyrimidine,4-chloro-5-phenyl-thieno 2,3-d pyrimidine,thieno 2,3-d pyrimidine,4-chloro-5-phenyl,4-chloro-5-phenylthiopheno 2,3-d pyrimidine,4-chloranyl-5-phenyl-thieno 2,3-d pyrimidine,thieno 2,3-d pyrimidine, 4-chloro-5-phenyl PubChem CID: 708730 IUPAC Name: 4-chloro-5-phenylthieno[2,3-d]pyrimidine SMILES: ClC1=C2C(SC=C2C2=CC=CC=C2)=NC=N1
| PubChem CID | 708730 |
|---|---|
| CAS | 182198-35-2 |
| Molecular Weight (g/mol) | 246.71 |
| MDL Number | MFCD00218029 |
| SMILES | ClC1=C2C(SC=C2C2=CC=CC=C2)=NC=N1 |
| Synonym | 4-chloro-5-phenylthieno 2,3-d pyrimidine,4-chloro-5-phenyl-thieno 2,3-d pyrimidine,thieno 2,3-d pyrimidine,4-chloro-5-phenyl,4-chloro-5-phenylthiopheno 2,3-d pyrimidine,4-chloranyl-5-phenyl-thieno 2,3-d pyrimidine,thieno 2,3-d pyrimidine, 4-chloro-5-phenyl |
| IUPAC Name | 4-chloro-5-phenylthieno[2,3-d]pyrimidine |
| InChI Key | WONOKVSIDWOIGC-UHFFFAOYSA-N |
| Molecular Formula | C12H7ClN2S |
Ethyl 4-amino-2-mercaptopyrimidine-5-carboxylate, 97%, Thermo Scientific Chemicals
CAS: 774-07-2 Molecular Formula: C7H9N3O2S Molecular Weight (g/mol): 199.23 MDL Number: MFCD00023227 InChI Key: DKTWKRWWQKVQQB-UHFFFAOYSA-N Synonym: ethyl 4-amino-2-mercaptopyrimidine-5-carboxylate,ethyl 6-amino-2-thioxo-1,2-dihydropyrimidine-5-carboxylate,ethyl 4-amino-2-sulfanylpyrimidine-5-carboxylate,ethyl 4-amino-2-mercapto-5-pyrimidinecarboxylate,ethyl 4-amino-2-mercapropyrimidine-5-carboxylate,5-pyrimidinecarboxylic acid, 4-amino-2-mercapto-, ethyl ester,ethyl 4-amino-2-sulfanyl-5-pyrimidinecarboxylate,ethyl 4-amino-2-sulfanylidene-3h-pyrimidine-5-carboxylate,ethyl 4-amino-2-thioxo-1,2-dihydropyrimidine-5-carboxylate,ethyl 6-amino-2-thioxo-1,2-dihydro-5-pyrimidinecarboxylate PubChem CID: 759149 IUPAC Name: ethyl 6-amino-2-sulfanylidene-1H-pyrimidine-5-carboxylate SMILES: CCOC(=O)C1=C(N)NC(=S)N=C1
| PubChem CID | 759149 |
|---|---|
| CAS | 774-07-2 |
| Molecular Weight (g/mol) | 199.23 |
| MDL Number | MFCD00023227 |
| SMILES | CCOC(=O)C1=C(N)NC(=S)N=C1 |
| Synonym | ethyl 4-amino-2-mercaptopyrimidine-5-carboxylate,ethyl 6-amino-2-thioxo-1,2-dihydropyrimidine-5-carboxylate,ethyl 4-amino-2-sulfanylpyrimidine-5-carboxylate,ethyl 4-amino-2-mercapto-5-pyrimidinecarboxylate,ethyl 4-amino-2-mercapropyrimidine-5-carboxylate,5-pyrimidinecarboxylic acid, 4-amino-2-mercapto-, ethyl ester,ethyl 4-amino-2-sulfanyl-5-pyrimidinecarboxylate,ethyl 4-amino-2-sulfanylidene-3h-pyrimidine-5-carboxylate,ethyl 4-amino-2-thioxo-1,2-dihydropyrimidine-5-carboxylate,ethyl 6-amino-2-thioxo-1,2-dihydro-5-pyrimidinecarboxylate |
| IUPAC Name | ethyl 6-amino-2-sulfanylidene-1H-pyrimidine-5-carboxylate |
| InChI Key | DKTWKRWWQKVQQB-UHFFFAOYSA-N |
| Molecular Formula | C7H9N3O2S |
6-Chloro-2,4-dimethoxypyrimidine, 98+%
CAS: 6320-15-6 Molecular Formula: C6H7ClN2O2 Molecular Weight (g/mol): 174.58 MDL Number: MFCD00006068 InChI Key: JHNRTJRDRWKAIW-UHFFFAOYSA-N Synonym: 6-chloro-2,4-dimethoxypyrimidine,2,4-dimethoxy-6-chloropyrimidine,pyrimidine, 4-chloro-2,6-dimethoxy,4-chloro-2,6-dimethoxy-pyrimidine,pubchem16350,acmc-209ndu,4-chlor-2,6-dimethoxypyrimidin,4-chloro-2,6-dimethoxypyrimidin,2,6-dimethoxy-4-chloropyrimidine,6-chloro-2,4-dimethixypyrimidine PubChem CID: 80600 IUPAC Name: 4-chloro-2,6-dimethoxypyrimidine SMILES: COC1=CC(Cl)=NC(OC)=N1
| PubChem CID | 80600 |
|---|---|
| CAS | 6320-15-6 |
| Molecular Weight (g/mol) | 174.58 |
| MDL Number | MFCD00006068 |
| SMILES | COC1=CC(Cl)=NC(OC)=N1 |
| Synonym | 6-chloro-2,4-dimethoxypyrimidine,2,4-dimethoxy-6-chloropyrimidine,pyrimidine, 4-chloro-2,6-dimethoxy,4-chloro-2,6-dimethoxy-pyrimidine,pubchem16350,acmc-209ndu,4-chlor-2,6-dimethoxypyrimidin,4-chloro-2,6-dimethoxypyrimidin,2,6-dimethoxy-4-chloropyrimidine,6-chloro-2,4-dimethixypyrimidine |
| IUPAC Name | 4-chloro-2,6-dimethoxypyrimidine |
| InChI Key | JHNRTJRDRWKAIW-UHFFFAOYSA-N |
| Molecular Formula | C6H7ClN2O2 |
6-Oxo-1,6-dihydropyridazine-3-carboxylic acid monohydrate, 97%, Thermo Scientific™
CAS: 37972-69-3 Molecular Formula: C5H3N2O3 Molecular Weight (g/mol): 139.09 MDL Number: MFCD09064936 InChI Key: GIFSROMQVPUQFK-UHFFFAOYSA-M Synonym: 6-hydroxypyridazine-3-carboxylic acid,6-hydroxy-3-pyridazinecarboxylic acid,6-oxo-1,6-dihydropyridazine-3-carboxylic acid,6-oxo-1,6-dihydro-pyridazine-3-carboxylic acid,3-hydroxypyridazine-6-carboxylic acid,3-pyridazinecarboxylic acid, 1,6-dihydro-6-oxo,6-hydroxy-pyridazine-3-carboxylic acid,6-oxo-1,6-dihydro-3-pyridazinecarboxylic acid,3-pyridazinecarboxylicacid, 1,6-dihydro-6-oxo,6-oxohydropyridazine-3-carboxylic acid PubChem CID: 305970 IUPAC Name: 6-oxo-1H-pyridazine-3-carboxylic acid SMILES: [O-]C(=O)C1=NNC(=O)C=C1
| PubChem CID | 305970 |
|---|---|
| CAS | 37972-69-3 |
| Molecular Weight (g/mol) | 139.09 |
| MDL Number | MFCD09064936 |
| SMILES | [O-]C(=O)C1=NNC(=O)C=C1 |
| Synonym | 6-hydroxypyridazine-3-carboxylic acid,6-hydroxy-3-pyridazinecarboxylic acid,6-oxo-1,6-dihydropyridazine-3-carboxylic acid,6-oxo-1,6-dihydro-pyridazine-3-carboxylic acid,3-hydroxypyridazine-6-carboxylic acid,3-pyridazinecarboxylic acid, 1,6-dihydro-6-oxo,6-hydroxy-pyridazine-3-carboxylic acid,6-oxo-1,6-dihydro-3-pyridazinecarboxylic acid,3-pyridazinecarboxylicacid, 1,6-dihydro-6-oxo,6-oxohydropyridazine-3-carboxylic acid |
| IUPAC Name | 6-oxo-1H-pyridazine-3-carboxylic acid |
| InChI Key | GIFSROMQVPUQFK-UHFFFAOYSA-M |
| Molecular Formula | C5H3N2O3 |
1-(tert-butyl) 2-methyl 1H-indole-1,2-dicarboxylate, 97%, Thermo Scientific™
CAS: 163229-48-9 Molecular Formula: C15H17NO4 Molecular Weight (g/mol): 275.304 InChI Key: UJVYYFYNECMKRA-UHFFFAOYSA-N Synonym: 1-tert-butyl 2-methyl 1h-indole-1,2-dicarboxylate,1-tert-butyl 2-methyl indole-1,2-dicarboxylate,1-tert-butyl-2-methyl-1h-indole-1,2-dicarboxylate,1h-indole-1,2-dicarboxylic acid 1-tert-butyl 2-methyl ester,1h-indole-1,2-dicarboxylicacid, 1-1,1-dimethylethyl 2-methyl ester PubChem CID: 2795473 IUPAC Name: 1-O-tert-butyl 2-O-methyl indole-1,2-dicarboxylate SMILES: CC(C)(C)OC(=O)N1C2=CC=CC=C2C=C1C(=O)OC
| PubChem CID | 2795473 |
|---|---|
| CAS | 163229-48-9 |
| Molecular Weight (g/mol) | 275.304 |
| SMILES | CC(C)(C)OC(=O)N1C2=CC=CC=C2C=C1C(=O)OC |
| Synonym | 1-tert-butyl 2-methyl 1h-indole-1,2-dicarboxylate,1-tert-butyl 2-methyl indole-1,2-dicarboxylate,1-tert-butyl-2-methyl-1h-indole-1,2-dicarboxylate,1h-indole-1,2-dicarboxylic acid 1-tert-butyl 2-methyl ester,1h-indole-1,2-dicarboxylicacid, 1-1,1-dimethylethyl 2-methyl ester |
| IUPAC Name | 1-O-tert-butyl 2-O-methyl indole-1,2-dicarboxylate |
| InChI Key | UJVYYFYNECMKRA-UHFFFAOYSA-N |
| Molecular Formula | C15H17NO4 |
3-Pyrimidin-5-ylbenzoic acid, ≥97%, Thermo Scientific™
CAS: 852180-74-6 Molecular Formula: C11H8N2O2 Molecular Weight (g/mol): 200.197 MDL Number: MFCD05864810 InChI Key: URQRFVRGUHUTMI-UHFFFAOYSA-N Synonym: 3-pyrimidin-5-yl-benzoic acid,3-pyrimidin-5-yl benzoic acid,3-5-pyrimidinyl benzoic acid,benzoic acid,3-5-pyrimidinyl,benzoic acid, 3-5-pyrimidinyl,3-pyrimidin-5-yl-benzoicacid,benzoic acid, 3-5-pyrimidinyl-9ci PubChem CID: 4187250 IUPAC Name: 3-pyrimidin-5-ylbenzoic acid SMILES: C1=CC(=CC(=C1)C(=O)O)C2=CN=CN=C2
| PubChem CID | 4187250 |
|---|---|
| CAS | 852180-74-6 |
| Molecular Weight (g/mol) | 200.197 |
| MDL Number | MFCD05864810 |
| SMILES | C1=CC(=CC(=C1)C(=O)O)C2=CN=CN=C2 |
| Synonym | 3-pyrimidin-5-yl-benzoic acid,3-pyrimidin-5-yl benzoic acid,3-5-pyrimidinyl benzoic acid,benzoic acid,3-5-pyrimidinyl,benzoic acid, 3-5-pyrimidinyl,3-pyrimidin-5-yl-benzoicacid,benzoic acid, 3-5-pyrimidinyl-9ci |
| IUPAC Name | 3-pyrimidin-5-ylbenzoic acid |
| InChI Key | URQRFVRGUHUTMI-UHFFFAOYSA-N |
| Molecular Formula | C11H8N2O2 |
Melatonin, Powder, 96%, Spectrum™ Chemical
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CAS: 73-31-4
| CAS | 73-31-4 |
|---|
Indole-3-butyric Acid, 97%, Spectrum™ Chemical
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CAS: 133-32-4
| CAS | 133-32-4 |
|---|
1-Boc-indole, 97%
CAS: 75400-67-8 Molecular Formula: C13H15NO2 Molecular Weight (g/mol): 217.27 MDL Number: MFCD02093939 InChI Key: OWPIFQXNMLDXKW-UHFFFAOYSA-N Synonym: 1-boc-indole,tert-butyl 1h-indole-1-carboxylate,n-boc-indole,tert-butyl 1-indolecarboxylate,1h-indole-1-carboxylic acid, 1,1-dimethylethyl ester,1-tert-butoxycarbonyl indole,n-boc indole,pubchem7228,acmc-1bjgd,1-tert-butoxycarbonylindole PubChem CID: 3532980 SMILES: CC(C)(C)OC(=O)N1C=CC2=CC=CC=C12
| PubChem CID | 3532980 |
|---|---|
| CAS | 75400-67-8 |
| Molecular Weight (g/mol) | 217.27 |
| MDL Number | MFCD02093939 |
| SMILES | CC(C)(C)OC(=O)N1C=CC2=CC=CC=C12 |
| Synonym | 1-boc-indole,tert-butyl 1h-indole-1-carboxylate,n-boc-indole,tert-butyl 1-indolecarboxylate,1h-indole-1-carboxylic acid, 1,1-dimethylethyl ester,1-tert-butoxycarbonyl indole,n-boc indole,pubchem7228,acmc-1bjgd,1-tert-butoxycarbonylindole |
| InChI Key | OWPIFQXNMLDXKW-UHFFFAOYSA-N |
| Molecular Formula | C13H15NO2 |
1-Benzyl-1H-indol-5-ylamine, 97%, Thermo Scientific™
CAS: 26807-73-8 Molecular Formula: C15H14N2 Molecular Weight (g/mol): 222.291 MDL Number: MFCD03070173 InChI Key: UYDNPZLYDODKKA-UHFFFAOYSA-N Synonym: 1-benzyl-1h-indol-5-ylamine,1-benzyl-1h-indol-5-amine,5-amino-1-benzylindole,n-benzyl-5-amino indole,1-benzylindole-5-ylamine,5-amino-1benzyl-1h-indole,5-amino-1-benzyl-1h-indole,1h-indol-5-amine,1-phenylmethyl PubChem CID: 2794624 IUPAC Name: 1-benzylindol-5-amine SMILES: C1=CC=C(C=C1)CN2C=CC3=C2C=CC(=C3)N
| PubChem CID | 2794624 |
|---|---|
| CAS | 26807-73-8 |
| Molecular Weight (g/mol) | 222.291 |
| MDL Number | MFCD03070173 |
| SMILES | C1=CC=C(C=C1)CN2C=CC3=C2C=CC(=C3)N |
| Synonym | 1-benzyl-1h-indol-5-ylamine,1-benzyl-1h-indol-5-amine,5-amino-1-benzylindole,n-benzyl-5-amino indole,1-benzylindole-5-ylamine,5-amino-1benzyl-1h-indole,5-amino-1-benzyl-1h-indole,1h-indol-5-amine,1-phenylmethyl |
| IUPAC Name | 1-benzylindol-5-amine |
| InChI Key | UYDNPZLYDODKKA-UHFFFAOYSA-N |
| Molecular Formula | C15H14N2 |