Organoheterocyclic compounds
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Melatonin, MP Biomedicals
CAS: 73-31-4 Molecular Formula: C13H16N2O2 Molecular Weight (g/mol): 232.283 MDL Number: MFCD00005655 InChI Key: DRLFMBDRBRZALE-UHFFFAOYSA-N Synonym: melatonin,melatonine,n-acetyl-5-methoxytryptamine,circadin,5-methoxy-n-acetyltryptamine,n-2-5-methoxy-1h-indol-3-yl ethyl acetamide,melatol,melatonex,melovine PubChem CID: 896 ChEBI: CHEBI:16796 IUPAC Name: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide SMILES: CC(=O)NCCC1=CNC2=C1C=C(C=C2)OC
| PubChem CID | 896 |
|---|---|
| CAS | 73-31-4 |
| Molecular Weight (g/mol) | 232.283 |
| ChEBI | CHEBI:16796 |
| MDL Number | MFCD00005655 |
| SMILES | CC(=O)NCCC1=CNC2=C1C=C(C=C2)OC |
| Synonym | melatonin,melatonine,n-acetyl-5-methoxytryptamine,circadin,5-methoxy-n-acetyltryptamine,n-2-5-methoxy-1h-indol-3-yl ethyl acetamide,melatol,melatonex,melovine |
| IUPAC Name | N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide |
| InChI Key | DRLFMBDRBRZALE-UHFFFAOYSA-N |
| Molecular Formula | C13H16N2O2 |
1,3-Dicyclohexylbenzimidazolium chloride, 95%
CAS: 1034449-15-4 Molecular Formula: C19H27ClN2 Molecular Weight (g/mol): 318.89 MDL Number: MFCD08705248 InChI Key: JACUDTKAZHCIPU-UHFFFAOYSA-M Synonym: 1,3-dicyclohexylbenzimidazolium chloride,1,3-dicyclohexyl-1??,3-benzodiazol-1-ylium chloride,1,3-dicyclohexyl-1h-benzimidazol-3-ium chloride,1,3-dicyclohexyl-1h-benzo d imidazol-3-ium chloride,1,3-dicyclohexyl-2h-1,3-benzodiazol-2-ylium chloride PubChem CID: 16218267 SMILES: [Cl-].C1CCC(CC1)N1C=[N+](C2CCCCC2)C2=CC=CC=C12
| PubChem CID | 16218267 |
|---|---|
| CAS | 1034449-15-4 |
| Molecular Weight (g/mol) | 318.89 |
| MDL Number | MFCD08705248 |
| SMILES | [Cl-].C1CCC(CC1)N1C=[N+](C2CCCCC2)C2=CC=CC=C12 |
| Synonym | 1,3-dicyclohexylbenzimidazolium chloride,1,3-dicyclohexyl-1??,3-benzodiazol-1-ylium chloride,1,3-dicyclohexyl-1h-benzimidazol-3-ium chloride,1,3-dicyclohexyl-1h-benzo d imidazol-3-ium chloride,1,3-dicyclohexyl-2h-1,3-benzodiazol-2-ylium chloride |
| InChI Key | JACUDTKAZHCIPU-UHFFFAOYSA-M |
| Molecular Formula | C19H27ClN2 |
Creatinine, 98%, Spectrum™ Chemical
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CAS: 60-27-5
| CAS | 60-27-5 |
|---|
1,3-Dimethyl-1H-thieno[2,3-c]pyrazole-5-carboxylic acid, 95+%, Thermo Scientific™
CAS: 25252-46-4 Molecular Formula: C8H8N2O2S Molecular Weight (g/mol): 196.224 InChI Key: QRANSYHQSVJLHX-UHFFFAOYSA-N Synonym: 1,3-dimethyl-1h-thieno 2,3-c pyrazole-5-carboxylic acid,1,3-dimethylthieno 2,3-c pyrazole-5-carboxylic acid,1h-thieno 2,3-c pyrazole-5-carboxylic acid, 1,3-dimethyl,1h-thieno 2,3-c pyrazole-5-carboxylicacid, 1,3-dimethyl,4fzj,1,3-dimethyl-1h-thieno 2,3-c pyrazole-5-carboxylicacid,unavailable-see asdi_catno 500021541,5-carboxy-1,3-dimethyl-1h-thieno 2,3-c pyrazole,1,3-dimethylthiopheno 3,2-d pyrazole-5-carboxylic acid,1,3-dimethyl-1h-thieno 2,3-c-pyrazole-5-carboxylic acid PubChem CID: 2776541 IUPAC Name: 1,3-dimethylthieno[2,3-c]pyrazole-5-carboxylic acid SMILES: CC1=NN(C2=C1C=C(S2)C(=O)O)C
| PubChem CID | 2776541 |
|---|---|
| CAS | 25252-46-4 |
| Molecular Weight (g/mol) | 196.224 |
| SMILES | CC1=NN(C2=C1C=C(S2)C(=O)O)C |
| Synonym | 1,3-dimethyl-1h-thieno 2,3-c pyrazole-5-carboxylic acid,1,3-dimethylthieno 2,3-c pyrazole-5-carboxylic acid,1h-thieno 2,3-c pyrazole-5-carboxylic acid, 1,3-dimethyl,1h-thieno 2,3-c pyrazole-5-carboxylicacid, 1,3-dimethyl,4fzj,1,3-dimethyl-1h-thieno 2,3-c pyrazole-5-carboxylicacid,unavailable-see asdi_catno 500021541,5-carboxy-1,3-dimethyl-1h-thieno 2,3-c pyrazole,1,3-dimethylthiopheno 3,2-d pyrazole-5-carboxylic acid,1,3-dimethyl-1h-thieno 2,3-c-pyrazole-5-carboxylic acid |
| IUPAC Name | 1,3-dimethylthieno[2,3-c]pyrazole-5-carboxylic acid |
| InChI Key | QRANSYHQSVJLHX-UHFFFAOYSA-N |
| Molecular Formula | C8H8N2O2S |
1,3-Dimethyl-1H-thieno[2,3-c]pyrazole-5-carbonyl chloride, 97%, Thermo Scientific™
CAS: 388088-75-3 Molecular Formula: C8H7ClN2OS Molecular Weight (g/mol): 214.67 MDL Number: MFCD03086153 InChI Key: BQOTYHLFKDBAGL-UHFFFAOYSA-N Synonym: 1,3-dimethyl-1h-thieno 2,3-c pyrazole-5-carbonyl chloride,1,3-dimethylthieno 2,3-c pyrazole-5-carbonyl chloride,1,3-dimethyl-1h-thieno 2,3-c pyrazole-5-carbonylchloride,1,3-dimethylthiopheno 3,2-d pyrazole-5-carbonyl chloride,1h-thieno 2,3-c pyrazole-5-carbonylchloride, 1,3-dimethyl PubChem CID: 2776542 IUPAC Name: 1,3-dimethylthieno[2,3-c]pyrazole-5-carbonyl chloride SMILES: CN1N=C(C)C2=C1SC(=C2)C(Cl)=O
| PubChem CID | 2776542 |
|---|---|
| CAS | 388088-75-3 |
| Molecular Weight (g/mol) | 214.67 |
| MDL Number | MFCD03086153 |
| SMILES | CN1N=C(C)C2=C1SC(=C2)C(Cl)=O |
| Synonym | 1,3-dimethyl-1h-thieno 2,3-c pyrazole-5-carbonyl chloride,1,3-dimethylthieno 2,3-c pyrazole-5-carbonyl chloride,1,3-dimethyl-1h-thieno 2,3-c pyrazole-5-carbonylchloride,1,3-dimethylthiopheno 3,2-d pyrazole-5-carbonyl chloride,1h-thieno 2,3-c pyrazole-5-carbonylchloride, 1,3-dimethyl |
| IUPAC Name | 1,3-dimethylthieno[2,3-c]pyrazole-5-carbonyl chloride |
| InChI Key | BQOTYHLFKDBAGL-UHFFFAOYSA-N |
| Molecular Formula | C8H7ClN2OS |
6-(tert-Butoxycarbonylamino)pyridine-3-boronic acid pinacol ester, 97%
CAS: 910462-31-6 Molecular Formula: C16H25BN2O4 Molecular Weight (g/mol): 320.20 MDL Number: MFCD07781162 InChI Key: USZVCDRKIVKICD-UHFFFAOYSA-N Synonym: tert-butyl 5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyridin-2-yl carbamate,2-tert-butoxycarbonylamino pyridine-5-boronic acid, pinacol ester,2-boc-amino pyridine-5-boronic acid, pinacol ester,2-boc-amino pyridine-5-boronic acid pinacol ester,tert-butyl 5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyridin-2-ylcarbamate,boc-6-aminopyridine-3-boronic acid pinacol ester,carbamic acid,n-5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-2-pyridinyl-,1,1-dimethylethyl ester,tert-butyl n-5-tetramethyl-1,3,2-dioxaborolan-2-yl pyridin-2-yl carbamate,tert-butyl n-5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyridin-2-yl carbamate PubChem CID: 17750222 IUPAC Name: tert-butyl N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]carbamate SMILES: CC(C)(C)OC(=O)NC1=NC=C(C=C1)B1OC(C)(C)C(C)(C)O1
| PubChem CID | 17750222 |
|---|---|
| CAS | 910462-31-6 |
| Molecular Weight (g/mol) | 320.20 |
| MDL Number | MFCD07781162 |
| SMILES | CC(C)(C)OC(=O)NC1=NC=C(C=C1)B1OC(C)(C)C(C)(C)O1 |
| Synonym | tert-butyl 5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyridin-2-yl carbamate,2-tert-butoxycarbonylamino pyridine-5-boronic acid, pinacol ester,2-boc-amino pyridine-5-boronic acid, pinacol ester,2-boc-amino pyridine-5-boronic acid pinacol ester,tert-butyl 5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyridin-2-ylcarbamate,boc-6-aminopyridine-3-boronic acid pinacol ester,carbamic acid,n-5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-2-pyridinyl-,1,1-dimethylethyl ester,tert-butyl n-5-tetramethyl-1,3,2-dioxaborolan-2-yl pyridin-2-yl carbamate,tert-butyl n-5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyridin-2-yl carbamate |
| IUPAC Name | tert-butyl N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]carbamate |
| InChI Key | USZVCDRKIVKICD-UHFFFAOYSA-N |
| Molecular Formula | C16H25BN2O4 |
Pyridine-2,6-dicarboxylic acid, 98%
CAS: 499-83-2 Molecular Formula: C7H5NO4 Molecular Weight (g/mol): 167.12 MDL Number: MFCD00006299 InChI Key: WJJMNDUMQPNECX-UHFFFAOYSA-N Synonym: 2,6-pyridinedicarboxylic acid,dipicolinic acid,2,6-dipicolinic acid,dipicolinate,2,6-dicarboxypyridine,2,6-pyridinedicarboxylate,unii-ue81s5cq0g,2,6-pyridinedicarboxylicacid,ue81s5cq0g,2,6-pyridinedicarboxylic acid dipicolinic acid PubChem CID: 10367 ChEBI: CHEBI:46837 IUPAC Name: pyridine-2,6-dicarboxylic acid SMILES: C1=CC(=NC(=C1)C(=O)O)C(=O)O
| PubChem CID | 10367 |
|---|---|
| CAS | 499-83-2 |
| Molecular Weight (g/mol) | 167.12 |
| ChEBI | CHEBI:46837 |
| MDL Number | MFCD00006299 |
| SMILES | C1=CC(=NC(=C1)C(=O)O)C(=O)O |
| Synonym | 2,6-pyridinedicarboxylic acid,dipicolinic acid,2,6-dipicolinic acid,dipicolinate,2,6-dicarboxypyridine,2,6-pyridinedicarboxylate,unii-ue81s5cq0g,2,6-pyridinedicarboxylicacid,ue81s5cq0g,2,6-pyridinedicarboxylic acid dipicolinic acid |
| IUPAC Name | pyridine-2,6-dicarboxylic acid |
| InChI Key | WJJMNDUMQPNECX-UHFFFAOYSA-N |
| Molecular Formula | C7H5NO4 |
Piperonyl alcohol, 98%
CAS: 495-76-1 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00005836 InChI Key: BHUIUXNAPJIDOG-UHFFFAOYSA-N Synonym: piperonyl alcohol,piperonol,1,3-benzodioxole-5-methanol,3,4-methylenedioxybenzyl alcohol,benzo d 1,3 dioxol-5-ylmethanol,piperonylalcohol,5-hydroxymethyl-1,3-benzodioxole,1-hydroxymethyl-3,4-methylenedioxybenzene,benzo 1,3 dioxol-5-ylmethanol,3,4-methylenedioxy phenylmethanol PubChem CID: 10322 IUPAC Name: 1,3-benzodioxol-5-ylmethanol SMILES: C1OC2=C(O1)C=C(C=C2)CO
| PubChem CID | 10322 |
|---|---|
| CAS | 495-76-1 |
| Molecular Weight (g/mol) | 152.15 |
| MDL Number | MFCD00005836 |
| SMILES | C1OC2=C(O1)C=C(C=C2)CO |
| Synonym | piperonyl alcohol,piperonol,1,3-benzodioxole-5-methanol,3,4-methylenedioxybenzyl alcohol,benzo d 1,3 dioxol-5-ylmethanol,piperonylalcohol,5-hydroxymethyl-1,3-benzodioxole,1-hydroxymethyl-3,4-methylenedioxybenzene,benzo 1,3 dioxol-5-ylmethanol,3,4-methylenedioxy phenylmethanol |
| IUPAC Name | 1,3-benzodioxol-5-ylmethanol |
| InChI Key | BHUIUXNAPJIDOG-UHFFFAOYSA-N |
| Molecular Formula | C8H8O3 |
1H-Indazole-5-carboxylic acid, 97%
CAS: 61700-61-6 Molecular Formula: C8H6N2O2 Molecular Weight (g/mol): 162.15 MDL Number: MFCD06804570 InChI Key: MAVGBUDLHOOROM-UHFFFAOYSA-N Synonym: indazole-5-carboxylic acid,5-indazolecarboxylic acid,1h-indazole-5-carboxylicacid,indazole-5-carboxylic acid hcl,acmc-209mvj,5-carboxy-1h-indazole,5-carboxyindazole,1h-5indazolecarboxylic acid,c8h6n2o2.clh,1h-indazole-5carboxylic acid PubChem CID: 4248454 IUPAC Name: 1H-indazole-5-carboxylic acid SMILES: OC(=O)C1=CC=C2NN=CC2=C1
| PubChem CID | 4248454 |
|---|---|
| CAS | 61700-61-6 |
| Molecular Weight (g/mol) | 162.15 |
| MDL Number | MFCD06804570 |
| SMILES | OC(=O)C1=CC=C2NN=CC2=C1 |
| Synonym | indazole-5-carboxylic acid,5-indazolecarboxylic acid,1h-indazole-5-carboxylicacid,indazole-5-carboxylic acid hcl,acmc-209mvj,5-carboxy-1h-indazole,5-carboxyindazole,1h-5indazolecarboxylic acid,c8h6n2o2.clh,1h-indazole-5carboxylic acid |
| IUPAC Name | 1H-indazole-5-carboxylic acid |
| InChI Key | MAVGBUDLHOOROM-UHFFFAOYSA-N |
| Molecular Formula | C8H6N2O2 |
2-Methylindole, 98+%
CAS: 95-20-5 Molecular Formula: C9H9N Molecular Weight (g/mol): 131.178 MDL Number: MFCD00005616 InChI Key: BHNHHSOHWZKFOX-UHFFFAOYSA-N Synonym: 2-methylindole,1h-indole, 2-methyl,indole, 2-methyl,2-methyl indole,unii-i7cn58827i,2-methylindol,methylketole,methyl indole,2-methyl-indole,pubchem7504 PubChem CID: 7224 ChEBI: CHEBI:49402 IUPAC Name: 2-methyl-1H-indole SMILES: CC1=CC2=CC=CC=C2N1
| PubChem CID | 7224 |
|---|---|
| CAS | 95-20-5 |
| Molecular Weight (g/mol) | 131.178 |
| ChEBI | CHEBI:49402 |
| MDL Number | MFCD00005616 |
| SMILES | CC1=CC2=CC=CC=C2N1 |
| Synonym | 2-methylindole,1h-indole, 2-methyl,indole, 2-methyl,2-methyl indole,unii-i7cn58827i,2-methylindol,methylketole,methyl indole,2-methyl-indole,pubchem7504 |
| IUPAC Name | 2-methyl-1H-indole |
| InChI Key | BHNHHSOHWZKFOX-UHFFFAOYSA-N |
| Molecular Formula | C9H9N |
Thermo Scientific Chemicals 1-Methylimidazole, for biochemistry, anhydrous, AcroSeal™
CAS: 616-47-7 Molecular Formula: C4H6N2 Molecular Weight (g/mol): 82.11 MDL Number: MFCD00005292 InChI Key: MCTWTZJPVLRJOU-UHFFFAOYSA-N IUPAC Name: 1-methyl-1H-imidazole SMILES: CN1C=CN=C1
| CAS | 616-47-7 |
|---|---|
| Molecular Weight (g/mol) | 82.11 |
| MDL Number | MFCD00005292 |
| SMILES | CN1C=CN=C1 |
| IUPAC Name | 1-methyl-1H-imidazole |
| InChI Key | MCTWTZJPVLRJOU-UHFFFAOYSA-N |
| Molecular Formula | C4H6N2 |
Indole-3-acetic Acid, 98%, Spectrum™ Chemical
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CAS: 87-51-4
| CAS | 87-51-4 |
|---|
2-Amino-3-nitropyridine, 99%
CAS: 4214-75-9 Molecular Formula: C5H5N3O2 Molecular Weight (g/mol): 139.11 MDL Number: MFCD00006314 InChI Key: BPYHGTCRXDWOIQ-UHFFFAOYSA-N Synonym: 2-amino-3-nitropyridine,3-nitro-2-aminopyridine,2-pyridinamine, 3-nitro,3-nitropyridin-2-ylamine,3-nitro-pyridin-2-ylamine,pyridine, 2-amino-3-nitro,2-amino3-nitropyridine,3-nitro-2-pyridinamine,2-amino-3-nitro pyridine,3-nitro-2-pyridylamine PubChem CID: 77887 IUPAC Name: 3-nitropyridin-2-amine SMILES: NC1=NC=CC=C1[N+]([O-])=O
| PubChem CID | 77887 |
|---|---|
| CAS | 4214-75-9 |
| Molecular Weight (g/mol) | 139.11 |
| MDL Number | MFCD00006314 |
| SMILES | NC1=NC=CC=C1[N+]([O-])=O |
| Synonym | 2-amino-3-nitropyridine,3-nitro-2-aminopyridine,2-pyridinamine, 3-nitro,3-nitropyridin-2-ylamine,3-nitro-pyridin-2-ylamine,pyridine, 2-amino-3-nitro,2-amino3-nitropyridine,3-nitro-2-pyridinamine,2-amino-3-nitro pyridine,3-nitro-2-pyridylamine |
| IUPAC Name | 3-nitropyridin-2-amine |
| InChI Key | BPYHGTCRXDWOIQ-UHFFFAOYSA-N |
| Molecular Formula | C5H5N3O2 |
4,6-Dichloropyrimidine, 97%
CAS: 1193-21-1 Molecular Formula: C4H2Cl2N2 Molecular Weight (g/mol): 148.97 MDL Number: MFCD00006109 InChI Key: XJPZKYIHCLDXST-UHFFFAOYSA-N Synonym: pyrimidine, 4,6-dichloro,4,6-dichloro-pyrimidine,4,6-dichloro pyrimidine,4,6-dichloro-1,3-diazine,4,6-dichlorpyrimidin,dichloropyrmidine,dichloropyrimidine,zlchem 225,pubchem6913,4,6-dichloropyrimdine PubChem CID: 70943 IUPAC Name: 4,6-dichloropyrimidine SMILES: ClC1=CC(Cl)=NC=N1
| PubChem CID | 70943 |
|---|---|
| CAS | 1193-21-1 |
| Molecular Weight (g/mol) | 148.97 |
| MDL Number | MFCD00006109 |
| SMILES | ClC1=CC(Cl)=NC=N1 |
| Synonym | pyrimidine, 4,6-dichloro,4,6-dichloro-pyrimidine,4,6-dichloro pyrimidine,4,6-dichloro-1,3-diazine,4,6-dichlorpyrimidin,dichloropyrmidine,dichloropyrimidine,zlchem 225,pubchem6913,4,6-dichloropyrimdine |
| IUPAC Name | 4,6-dichloropyrimidine |
| InChI Key | XJPZKYIHCLDXST-UHFFFAOYSA-N |
| Molecular Formula | C4H2Cl2N2 |
tert-Butyl 4-[5-(hydroxymethyl)pyrid-2-yl]piperazine-1-carboxylate, ≥97%, Thermo Scientific™
CAS: 857284-20-9 Molecular Formula: C15H23N3O3 Molecular Weight (g/mol): 293.367 MDL Number: MFCD08060526 InChI Key: QKCHWJYIPFBVRD-UHFFFAOYSA-N Synonym: tert-butyl 4-5-hydroxymethyl pyrid-2-yl piperazine-1-carboxylate,tert-butyl 4-5-hydroxymethyl pyridin-2-yl piperazine-1-carboxylate,1-piperazinecarboxylicacid, 4-5-hydroxymethyl-2-pyridinyl-, 1,1-dimethylethyl ester,1-piperazinecarboxylicacid,4-5-hydroxymethyl-2-pyridinyl-,1,1-dimethylethyl ester PubChem CID: 7537576 IUPAC Name: tert-butyl 4-[5-(hydroxymethyl)pyridin-2-yl]piperazine-1-carboxylate SMILES: CC(C)(C)OC(=O)N1CCN(CC1)C2=NC=C(C=C2)CO
| PubChem CID | 7537576 |
|---|---|
| CAS | 857284-20-9 |
| Molecular Weight (g/mol) | 293.367 |
| MDL Number | MFCD08060526 |
| SMILES | CC(C)(C)OC(=O)N1CCN(CC1)C2=NC=C(C=C2)CO |
| Synonym | tert-butyl 4-5-hydroxymethyl pyrid-2-yl piperazine-1-carboxylate,tert-butyl 4-5-hydroxymethyl pyridin-2-yl piperazine-1-carboxylate,1-piperazinecarboxylicacid, 4-5-hydroxymethyl-2-pyridinyl-, 1,1-dimethylethyl ester,1-piperazinecarboxylicacid,4-5-hydroxymethyl-2-pyridinyl-,1,1-dimethylethyl ester |
| IUPAC Name | tert-butyl 4-[5-(hydroxymethyl)pyridin-2-yl]piperazine-1-carboxylate |
| InChI Key | QKCHWJYIPFBVRD-UHFFFAOYSA-N |
| Molecular Formula | C15H23N3O3 |