Organoheterocyclic compounds
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Diacetone-D-galactose, 95%
CAS: 4064-06-6 Molecular Formula: C12H20O6 Molecular Weight (g/mol): 260.29 MDL Number: MFCD00063225 InChI Key: POORJMIIHXHXAV-UHFFFAOYNA-N Synonym: 1,2:3,4-di-o-isopropylidene-d-galactose,1,2:3,4-di-o-isopropylidene-,a-d-galactopyranose,1,2:3,4-bis-o-1-methylethylidene-,1s,6r,9s-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo 7.3.0.0 2 ,? dodecan-8-yl methanol PubChem CID: 70793572 IUPAC Name: [(3aR,5aS,8aS)-2,2,7,7-tetramethyl-5,5a,8a,8b-tetrahydro-3aH-di[1,3]dioxolo[4,5-a SMILES: CC1(OC2C(OC3C(C2O1)OC(O3)(C)C)CO)C
| PubChem CID | 70793572 |
|---|---|
| CAS | 4064-06-6 |
| Molecular Weight (g/mol) | 260.29 |
| MDL Number | MFCD00063225 |
| SMILES | CC1(OC2C(OC3C(C2O1)OC(O3)(C)C)CO)C |
| Synonym | 1,2:3,4-di-o-isopropylidene-d-galactose,1,2:3,4-di-o-isopropylidene-,a-d-galactopyranose,1,2:3,4-bis-o-1-methylethylidene-,1s,6r,9s-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo 7.3.0.0 2 ,? dodecan-8-yl methanol |
| IUPAC Name | [(3aR,5aS,8aS)-2,2,7,7-tetramethyl-5,5a,8a,8b-tetrahydro-3aH-di[1,3]dioxolo[4,5-a |
| InChI Key | POORJMIIHXHXAV-UHFFFAOYNA-N |
| Molecular Formula | C12H20O6 |
1-O-Methyl-2-deoxy-D-ribose, 90%
CAS: 60134-26-1 Molecular Formula: C6H12O4 Molecular Weight (g/mol): 148.16 MDL Number: MFCD00134161 InChI Key: NVGJZDFWPSOTHM-XCSHRFQENA-N Synonym: 1-o-methyl-2-deoxy-d-ribose,2r,3s-2-hydroxymethyl-5-methoxytetrahydrofuran-3-ol,methyl 2-deoxy-d-ribofuranoside,2r,3s-2-hydroxymethyl-5-methoxyoxolan-3-ol,methyl 2-deoxyribofuranoside,methyl-2-deoxy-d-erythro pentofuranoside,d-erythro-pentofuranoside, methyl 2-deoxy,pubchem9694,methyl 2-deoxy-d-erythro-pentofuranoside PubChem CID: 10154128 IUPAC Name: (2R,3S)-2-(hydroxymethyl)-5-methoxyoxolan-3-ol SMILES: COC1C[C@H](O)[C@@H](CO)O1
| PubChem CID | 10154128 |
|---|---|
| CAS | 60134-26-1 |
| Molecular Weight (g/mol) | 148.16 |
| MDL Number | MFCD00134161 |
| SMILES | COC1C[C@H](O)[C@@H](CO)O1 |
| Synonym | 1-o-methyl-2-deoxy-d-ribose,2r,3s-2-hydroxymethyl-5-methoxytetrahydrofuran-3-ol,methyl 2-deoxy-d-ribofuranoside,2r,3s-2-hydroxymethyl-5-methoxyoxolan-3-ol,methyl 2-deoxyribofuranoside,methyl-2-deoxy-d-erythro pentofuranoside,d-erythro-pentofuranoside, methyl 2-deoxy,pubchem9694,methyl 2-deoxy-d-erythro-pentofuranoside |
| IUPAC Name | (2R,3S)-2-(hydroxymethyl)-5-methoxyoxolan-3-ol |
| InChI Key | NVGJZDFWPSOTHM-XCSHRFQENA-N |
| Molecular Formula | C6H12O4 |
N-BOC-3-Piperidinecarboxylic acid, 98%
CAS: 84358-12-3 Molecular Formula: C11H19NO4 Molecular Weight (g/mol): 229.28 MDL Number: MFCD00673775,MFCD02179173 InChI Key: NXILIHONWRXHFA-UHFFFAOYNA-N Synonym: 1-boc-piperidine-3-carboxylic acid,1-tert-butoxycarbonyl piperidine-3-carboxylic acid,1-boc-3-piperidinecarboxylic acid,n-boc-nipecotic acid,1-tert-butoxycarbonyl-3-piperidinecarboxylic acid,boc-dl-nip-oh,n-boc-3-piperidinecarboxylic acid,n-boc-piperidine-3-carboxylic acid,1-n-boc-piperidine-3-carboxylic acid,n-boc-dl-nipecotic acid PubChem CID: 2735647 IUPAC Name: 1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid SMILES: CC(C)(C)OC(=O)N1CCCC(C1)C(O)=O
| PubChem CID | 2735647 |
|---|---|
| CAS | 84358-12-3 |
| Molecular Weight (g/mol) | 229.28 |
| MDL Number | MFCD00673775,MFCD02179173 |
| SMILES | CC(C)(C)OC(=O)N1CCCC(C1)C(O)=O |
| Synonym | 1-boc-piperidine-3-carboxylic acid,1-tert-butoxycarbonyl piperidine-3-carboxylic acid,1-boc-3-piperidinecarboxylic acid,n-boc-nipecotic acid,1-tert-butoxycarbonyl-3-piperidinecarboxylic acid,boc-dl-nip-oh,n-boc-3-piperidinecarboxylic acid,n-boc-piperidine-3-carboxylic acid,1-n-boc-piperidine-3-carboxylic acid,n-boc-dl-nipecotic acid |
| IUPAC Name | 1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid |
| InChI Key | NXILIHONWRXHFA-UHFFFAOYNA-N |
| Molecular Formula | C11H19NO4 |
3,5-Dibromo-4-methoxypyridine, 98%
CAS: 650140-84-4 Molecular Formula: C6H5Br2NO2 Molecular Weight (g/mol): 282.919 MDL Number: MFCD13185524 InChI Key: KAYQEYHOGFRTAL-UHFFFAOYSA-N Synonym: 3,5-dibromo-4-methoxypyridine 1-oxide,3,5-dibromo-4-methoxypyridine-n-oxide,3,5-dibromo-4-methoxypyridin-1-ium-1-olate,pubchem6614 PubChem CID: 2784723 IUPAC Name: 3,5-dibromo-4-methoxy-1-oxidopyridin-1-ium SMILES: COC1=C(C=[N+](C=C1Br)[O-])Br
| PubChem CID | 2784723 |
|---|---|
| CAS | 650140-84-4 |
| Molecular Weight (g/mol) | 282.919 |
| MDL Number | MFCD13185524 |
| SMILES | COC1=C(C=[N+](C=C1Br)[O-])Br |
| Synonym | 3,5-dibromo-4-methoxypyridine 1-oxide,3,5-dibromo-4-methoxypyridine-n-oxide,3,5-dibromo-4-methoxypyridin-1-ium-1-olate,pubchem6614 |
| IUPAC Name | 3,5-dibromo-4-methoxy-1-oxidopyridin-1-ium |
| InChI Key | KAYQEYHOGFRTAL-UHFFFAOYSA-N |
| Molecular Formula | C6H5Br2NO2 |
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CAS: 6846-35-1
| CAS | 6846-35-1 |
|---|
Piperonylic acid, 99%
CAS: 94-53-1 Molecular Formula: C8H6O4 Molecular Weight (g/mol): 166.13 MDL Number: MFCD00005830 InChI Key: VDVJGIYXDVPQLP-UHFFFAOYSA-N Synonym: piperonylic acid,heliotropic acid,3,4-methylenedioxybenzoic acid,benzo d 1,3 dioxole-5-carboxylic acid,2h-1,3-benzodioxole-5-carboxylic acid,benzo 1,3 dioxole-5-carboxylic acid,protocatechuic acid methylene ether,5-benzodioxolecarboxylic acid,3,4-dioxymethylenebenzoic acid,3,4-methylene dioxybenzoic acid PubChem CID: 7196 IUPAC Name: 1,3-benzodioxole-5-carboxylic acid SMILES: OC(=O)C1=CC=C2OCOC2=C1
| PubChem CID | 7196 |
|---|---|
| CAS | 94-53-1 |
| Molecular Weight (g/mol) | 166.13 |
| MDL Number | MFCD00005830 |
| SMILES | OC(=O)C1=CC=C2OCOC2=C1 |
| Synonym | piperonylic acid,heliotropic acid,3,4-methylenedioxybenzoic acid,benzo d 1,3 dioxole-5-carboxylic acid,2h-1,3-benzodioxole-5-carboxylic acid,benzo 1,3 dioxole-5-carboxylic acid,protocatechuic acid methylene ether,5-benzodioxolecarboxylic acid,3,4-dioxymethylenebenzoic acid,3,4-methylene dioxybenzoic acid |
| IUPAC Name | 1,3-benzodioxole-5-carboxylic acid |
| InChI Key | VDVJGIYXDVPQLP-UHFFFAOYSA-N |
| Molecular Formula | C8H6O4 |
4-Methyl-4H-thieno[3,2-b]pyrrole-5-carbaldehyde, 97%, Thermo Scientific™
CAS: 121933-60-6 Molecular Formula: C8H7NOS Molecular Weight (g/mol): 165.21 MDL Number: MFCD07772837 InChI Key: XFKPNQZVRPOJNA-UHFFFAOYSA-N Synonym: 4-methyl-4h-thieno 3,2-b pyrrole-5-carbaldehyde,4-methylthieno 3,2-b pyrrole-5-carbaldehyde,4h-thieno 3,2-b pyrrole-5-carboxaldehyde,4-methyl,acmc-20mpsu,4-methylthiopheno 3,2-b pyrrole-5-carbaldehyde,4-methyl-4h-thieno 3,2-b pyrrole-5-carboxaldehyde PubChem CID: 7164609 IUPAC Name: 4-methylthieno[3,2-b]pyrrole-5-carbaldehyde SMILES: CN1C(C=O)=CC2=C1C=CS2
| PubChem CID | 7164609 |
|---|---|
| CAS | 121933-60-6 |
| Molecular Weight (g/mol) | 165.21 |
| MDL Number | MFCD07772837 |
| SMILES | CN1C(C=O)=CC2=C1C=CS2 |
| Synonym | 4-methyl-4h-thieno 3,2-b pyrrole-5-carbaldehyde,4-methylthieno 3,2-b pyrrole-5-carbaldehyde,4h-thieno 3,2-b pyrrole-5-carboxaldehyde,4-methyl,acmc-20mpsu,4-methylthiopheno 3,2-b pyrrole-5-carbaldehyde,4-methyl-4h-thieno 3,2-b pyrrole-5-carboxaldehyde |
| IUPAC Name | 4-methylthieno[3,2-b]pyrrole-5-carbaldehyde |
| InChI Key | XFKPNQZVRPOJNA-UHFFFAOYSA-N |
| Molecular Formula | C8H7NOS |
3-Piperidinobenzoic acid, 97%, Thermo Scientific™
CAS: 77940-94-4 Molecular Formula: C12H15NO2 Molecular Weight (g/mol): 205.257 MDL Number: MFCD06659081 InChI Key: FLQRORYAJSTYLT-UHFFFAOYSA-N Synonym: 3-piperidinobenzoic acid,3-piperidin-1-yl benzoic acid,3-piperidin-1-yl-benzoic acid,1-3-carboxyphenyl piperidine,3-1-piperidinyl benzoic acid,3-piperidylbenzoic acid,benzoic acid,3-1-piperidinyl,benzoic acid, 3-1-piperidinyl PubChem CID: 2795552 IUPAC Name: 3-piperidin-1-ylbenzoic acid SMILES: C1CCN(CC1)C2=CC=CC(=C2)C(=O)O
| PubChem CID | 2795552 |
|---|---|
| CAS | 77940-94-4 |
| Molecular Weight (g/mol) | 205.257 |
| MDL Number | MFCD06659081 |
| SMILES | C1CCN(CC1)C2=CC=CC(=C2)C(=O)O |
| Synonym | 3-piperidinobenzoic acid,3-piperidin-1-yl benzoic acid,3-piperidin-1-yl-benzoic acid,1-3-carboxyphenyl piperidine,3-1-piperidinyl benzoic acid,3-piperidylbenzoic acid,benzoic acid,3-1-piperidinyl,benzoic acid, 3-1-piperidinyl |
| IUPAC Name | 3-piperidin-1-ylbenzoic acid |
| InChI Key | FLQRORYAJSTYLT-UHFFFAOYSA-N |
| Molecular Formula | C12H15NO2 |
4-(1H-1,2,4-triazol-1-ylmethyl)benzoic acid, ≥97%, Thermo Scientific™
CAS: 160388-54-5 Molecular Formula: C10H9N3O2 Molecular Weight (g/mol): 203.201 MDL Number: MFCD07187900 InChI Key: DJXUEFGFCMIONN-UHFFFAOYSA-N PubChem CID: 3159714 IUPAC Name: 4-(1,2,4-triazol-1-ylmethyl)benzoic acid SMILES: C1=CC(=CC=C1CN2C=NC=N2)C(=O)O
| PubChem CID | 3159714 |
|---|---|
| CAS | 160388-54-5 |
| Molecular Weight (g/mol) | 203.201 |
| MDL Number | MFCD07187900 |
| SMILES | C1=CC(=CC=C1CN2C=NC=N2)C(=O)O |
| IUPAC Name | 4-(1,2,4-triazol-1-ylmethyl)benzoic acid |
| InChI Key | DJXUEFGFCMIONN-UHFFFAOYSA-N |
| Molecular Formula | C10H9N3O2 |
tert-Butyl 4-(2-aminophenyl)tetrahydro-1(2H)-pyrazinecarboxylate, 97%, Thermo Scientific™
CAS: 170017-74-0 Molecular Formula: C15H23N3O2 Molecular Weight (g/mol): 277.37 MDL Number: MFCD04115046 InChI Key: LNDQGWAWYKFYAO-UHFFFAOYSA-N Synonym: 1-boc-4-2-aminophenyl piperazine,tert-butyl 4-2-aminophenyl piperazine-1-carboxylate,2-4-boc-piperazin-1-yl aniline,tert-butyl 4-2-aminophenyl tetrahydro-1 2h-pyrazinecarboxylate,1-boc-4-2-aminophenyl-piperazine,4-2-amino-phenyl-piperazine-1-carboxylic acid tert-butyl ester,2-4-tert-butoxycarbonyl piperazin-1-yl aniline,4-2-aminophenyl piperazine, n1-boc protected,pubchem12189,acmc-1bzzw PubChem CID: 2795530 IUPAC Name: tert-butyl 4-(2-aminophenyl)piperazine-1-carboxylate SMILES: CC(C)(C)OC(=O)N1CCN(CC1)C1=CC=CC=C1N
| PubChem CID | 2795530 |
|---|---|
| CAS | 170017-74-0 |
| Molecular Weight (g/mol) | 277.37 |
| MDL Number | MFCD04115046 |
| SMILES | CC(C)(C)OC(=O)N1CCN(CC1)C1=CC=CC=C1N |
| Synonym | 1-boc-4-2-aminophenyl piperazine,tert-butyl 4-2-aminophenyl piperazine-1-carboxylate,2-4-boc-piperazin-1-yl aniline,tert-butyl 4-2-aminophenyl tetrahydro-1 2h-pyrazinecarboxylate,1-boc-4-2-aminophenyl-piperazine,4-2-amino-phenyl-piperazine-1-carboxylic acid tert-butyl ester,2-4-tert-butoxycarbonyl piperazin-1-yl aniline,4-2-aminophenyl piperazine, n1-boc protected,pubchem12189,acmc-1bzzw |
| IUPAC Name | tert-butyl 4-(2-aminophenyl)piperazine-1-carboxylate |
| InChI Key | LNDQGWAWYKFYAO-UHFFFAOYSA-N |
| Molecular Formula | C15H23N3O2 |
4-Methyloxazole-5-carbonyl chloride, 97%, Thermo Scientific™
CAS: 62348-24-7 Molecular Formula: C5H4ClNO2 Molecular Weight (g/mol): 145.54 MDL Number: MFCD06200856 InChI Key: YPKNOSGIABPXKS-UHFFFAOYSA-N Synonym: 4-methyloxazole-5-carbonyl chloride,5-oxazolecarbonyl chloride, 4-methyl,4-methyloxazole-5-carbonylchloride,4-methyl-5-oxazolecarbonyl chloride,4-methyl oxazole-5-carbonyl chloride,4-methyl-oxazole-5-carbonyl chloride,4-methyl-oxazole-5-carbonyl-chloride,4-methyloxazole-5-carboxylic acid chloride,5-oxazolecarbonyl chloride, 4-methyl-9ci PubChem CID: 2795217 IUPAC Name: 4-methyl-1,3-oxazole-5-carbonyl chloride SMILES: CC1=C(OC=N1)C(Cl)=O
| PubChem CID | 2795217 |
|---|---|
| CAS | 62348-24-7 |
| Molecular Weight (g/mol) | 145.54 |
| MDL Number | MFCD06200856 |
| SMILES | CC1=C(OC=N1)C(Cl)=O |
| Synonym | 4-methyloxazole-5-carbonyl chloride,5-oxazolecarbonyl chloride, 4-methyl,4-methyloxazole-5-carbonylchloride,4-methyl-5-oxazolecarbonyl chloride,4-methyl oxazole-5-carbonyl chloride,4-methyl-oxazole-5-carbonyl chloride,4-methyl-oxazole-5-carbonyl-chloride,4-methyloxazole-5-carboxylic acid chloride,5-oxazolecarbonyl chloride, 4-methyl-9ci |
| IUPAC Name | 4-methyl-1,3-oxazole-5-carbonyl chloride |
| InChI Key | YPKNOSGIABPXKS-UHFFFAOYSA-N |
| Molecular Formula | C5H4ClNO2 |
2-Methyl-6-quinolinecarboxylic acid, ≥97%, Thermo Scientific™
CAS: 635-80-3 Molecular Formula: C11H9NO2 Molecular Weight (g/mol): 187.198 MDL Number: MFCD00748504 InChI Key: IZONZQFTYGVOOO-UHFFFAOYSA-N Synonym: 2-methyl-6-quinolinecarboxylic acid,6-quinolinecarboxylic acid, 2-methyl,2-methyl-6-quinolinecarboxylicacid,2-methylquinoline-6-carboxylicacid,acmc-1b4d8,quinaldine-6-carboxylic acid,6-carboxy-2-methyl quinoline,ksc352o8f,2-methyl-quinoline-6-carboxylic acid PubChem CID: 604483 IUPAC Name: 2-methylquinoline-6-carboxylic acid SMILES: CC1=NC2=C(C=C1)C=C(C=C2)C(=O)O
| PubChem CID | 604483 |
|---|---|
| CAS | 635-80-3 |
| Molecular Weight (g/mol) | 187.198 |
| MDL Number | MFCD00748504 |
| SMILES | CC1=NC2=C(C=C1)C=C(C=C2)C(=O)O |
| Synonym | 2-methyl-6-quinolinecarboxylic acid,6-quinolinecarboxylic acid, 2-methyl,2-methyl-6-quinolinecarboxylicacid,2-methylquinoline-6-carboxylicacid,acmc-1b4d8,quinaldine-6-carboxylic acid,6-carboxy-2-methyl quinoline,ksc352o8f,2-methyl-quinoline-6-carboxylic acid |
| IUPAC Name | 2-methylquinoline-6-carboxylic acid |
| InChI Key | IZONZQFTYGVOOO-UHFFFAOYSA-N |
| Molecular Formula | C11H9NO2 |
N-Benzoylsuccinimide, 97%, Thermo Scientific Chemicals
CAS: 6343-27-7 Molecular Formula: C11H9NO3 Molecular Weight (g/mol): 203.197 MDL Number: MFCD00185021 InChI Key: CLFHABXQJQAYEF-UHFFFAOYSA-N Synonym: n-benzoylsuccinimide,n-benzoyl succinimide,mira-b,acmc-20ak70,1-benzoyl-2,5-pyrrolidinedione,2,5-pyrrolidinedione,1-benzoyl,1-phenylcarbonyl azolidine-2,5-dione PubChem CID: 232580 IUPAC Name: 1-benzoylpyrrolidine-2,5-dione SMILES: C1CC(=O)N(C1=O)C(=O)C2=CC=CC=C2
| PubChem CID | 232580 |
|---|---|
| CAS | 6343-27-7 |
| Molecular Weight (g/mol) | 203.197 |
| MDL Number | MFCD00185021 |
| SMILES | C1CC(=O)N(C1=O)C(=O)C2=CC=CC=C2 |
| Synonym | n-benzoylsuccinimide,n-benzoyl succinimide,mira-b,acmc-20ak70,1-benzoyl-2,5-pyrrolidinedione,2,5-pyrrolidinedione,1-benzoyl,1-phenylcarbonyl azolidine-2,5-dione |
| IUPAC Name | 1-benzoylpyrrolidine-2,5-dione |
| InChI Key | CLFHABXQJQAYEF-UHFFFAOYSA-N |
| Molecular Formula | C11H9NO3 |
Ethyl 2-chloropyrimidine-5-carboxylate, 97%
CAS: 89793-12-4 Molecular Formula: C7H7ClN2O2 Molecular Weight (g/mol): 186.595 MDL Number: MFCD09863164 InChI Key: IEMKQRSOAOPKRJ-UHFFFAOYSA-N Synonym: 2-chloro-pyrimidine-5-carboxylic acid ethyl ester,2-chloro-5-ethoxycarbonyl pyrimidine,ethyl-2-chloropyrimidine-5-carboxylate,ethyl 2-chloro-pyrimidine-5-carboxylate,5-pyrimidinecarboxylic acid, 2-chloro-, ethyl ester,ethyl2-chloropyrimidine-5-carboxylate,acmc-209r2w,ksc663i8r,ethyl 2-chloranylpyrimidine-5-carboxylate,2-chloro-5-pyrimidinecarboxylic acid ethyl ester PubChem CID: 10487815 IUPAC Name: ethyl 2-chloropyrimidine-5-carboxylate SMILES: CCOC(=O)C1=CN=C(N=C1)Cl
| PubChem CID | 10487815 |
|---|---|
| CAS | 89793-12-4 |
| Molecular Weight (g/mol) | 186.595 |
| MDL Number | MFCD09863164 |
| SMILES | CCOC(=O)C1=CN=C(N=C1)Cl |
| Synonym | 2-chloro-pyrimidine-5-carboxylic acid ethyl ester,2-chloro-5-ethoxycarbonyl pyrimidine,ethyl-2-chloropyrimidine-5-carboxylate,ethyl 2-chloro-pyrimidine-5-carboxylate,5-pyrimidinecarboxylic acid, 2-chloro-, ethyl ester,ethyl2-chloropyrimidine-5-carboxylate,acmc-209r2w,ksc663i8r,ethyl 2-chloranylpyrimidine-5-carboxylate,2-chloro-5-pyrimidinecarboxylic acid ethyl ester |
| IUPAC Name | ethyl 2-chloropyrimidine-5-carboxylate |
| InChI Key | IEMKQRSOAOPKRJ-UHFFFAOYSA-N |
| Molecular Formula | C7H7ClN2O2 |
4-Hydrazino-2,6-dimethylpyrimidine, ≥95%, Thermo Scientific™
CAS: 14331-56-7 Molecular Formula: C6H10N4 Molecular Weight (g/mol): 138.174 MDL Number: MFCD00102150 InChI Key: HVAYIAWJHRUOBC-UHFFFAOYSA-N PubChem CID: 736395 IUPAC Name: (2,6-dimethylpyrimidin-4-yl)hydrazine SMILES: CC1=CC(=NC(=N1)C)NN
| PubChem CID | 736395 |
|---|---|
| CAS | 14331-56-7 |
| Molecular Weight (g/mol) | 138.174 |
| MDL Number | MFCD00102150 |
| SMILES | CC1=CC(=NC(=N1)C)NN |
| IUPAC Name | (2,6-dimethylpyrimidin-4-yl)hydrazine |
| InChI Key | HVAYIAWJHRUOBC-UHFFFAOYSA-N |
| Molecular Formula | C6H10N4 |