Organoheterocyclic compounds
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4,6-Dichloro-2-(methylthio)pyrimidine, 98%, Thermo Scientific Chemicals
CAS: 6299-25-8 Molecular Formula: C5H4Cl2N2S Molecular Weight (g/mol): 195.061 MDL Number: MFCD00006086 InChI Key: FCMLONIWOAGZJX-UHFFFAOYSA-N Synonym: 4,6-dichloro-2-methylthio pyrimidine,4,6-dichloro-2-methylmercaptopyrimidine,4,6-dichloro-2-methylsulfanyl-pyrimidine,4,6-dichloro-2-methylthiopyrimidine,pyrimidine, 4,6-dichloro-2-methylthio,4,6-dichloro-2-methylsulfanyl pyrimidine,4,6-dichloropyrimidine methyl sulphide,2-methylthio-4,6-dichloropyrimidine,pubchem21477 PubChem CID: 80531 IUPAC Name: 4,6-dichloro-2-methylsulfanylpyrimidine SMILES: CSC1=NC(=CC(=N1)Cl)Cl
| PubChem CID | 80531 |
|---|---|
| CAS | 6299-25-8 |
| Molecular Weight (g/mol) | 195.061 |
| MDL Number | MFCD00006086 |
| SMILES | CSC1=NC(=CC(=N1)Cl)Cl |
| Synonym | 4,6-dichloro-2-methylthio pyrimidine,4,6-dichloro-2-methylmercaptopyrimidine,4,6-dichloro-2-methylsulfanyl-pyrimidine,4,6-dichloro-2-methylthiopyrimidine,pyrimidine, 4,6-dichloro-2-methylthio,4,6-dichloro-2-methylsulfanyl pyrimidine,4,6-dichloropyrimidine methyl sulphide,2-methylthio-4,6-dichloropyrimidine,pubchem21477 |
| IUPAC Name | 4,6-dichloro-2-methylsulfanylpyrimidine |
| InChI Key | FCMLONIWOAGZJX-UHFFFAOYSA-N |
| Molecular Formula | C5H4Cl2N2S |
Pyridoxal hydrochloride, MP Biomedicals™
CAS: 65-22-5 Molecular Formula: C8H10ClNO3 Molecular Weight (g/mol): 203.622 InChI Key: FCHXJFJNDJXENQ-UHFFFAOYSA-N Synonym: pyridoxal hydrochloride,pyridoxal hcl,vitamin b6 hydrochloride,3-hydroxy-5-hydroxymethyl-2-methylisonicotinaldehyde hydrochloride,unii-1416kf0qbc,2-methyl-3-hydroxy-4-formyl-5-hydroxymethylpyridine hydrochloride,pl hcl,3-hydroxy-5-hydroxymethyl-2-methylisonicotinaldehyde, hydrochloride,3-hydroxy-5-hydroxymethyl-2-methyl-4-pyridinecarboxaldehyde hydrochloride,3-hydroxy-5-hydroxymethyl-2-methylpyridine-4-carbaldehyde hydrochloride PubChem CID: 6171 IUPAC Name: 3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carbaldehyde;hydrochloride SMILES: CC1=NC=C(C(=C1O)C=O)CO.Cl
| PubChem CID | 6171 |
|---|---|
| CAS | 65-22-5 |
| Molecular Weight (g/mol) | 203.622 |
| SMILES | CC1=NC=C(C(=C1O)C=O)CO.Cl |
| Synonym | pyridoxal hydrochloride,pyridoxal hcl,vitamin b6 hydrochloride,3-hydroxy-5-hydroxymethyl-2-methylisonicotinaldehyde hydrochloride,unii-1416kf0qbc,2-methyl-3-hydroxy-4-formyl-5-hydroxymethylpyridine hydrochloride,pl hcl,3-hydroxy-5-hydroxymethyl-2-methylisonicotinaldehyde, hydrochloride,3-hydroxy-5-hydroxymethyl-2-methyl-4-pyridinecarboxaldehyde hydrochloride,3-hydroxy-5-hydroxymethyl-2-methylpyridine-4-carbaldehyde hydrochloride |
| IUPAC Name | 3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carbaldehyde;hydrochloride |
| InChI Key | FCHXJFJNDJXENQ-UHFFFAOYSA-N |
| Molecular Formula | C8H10ClNO3 |
Quinine, 95%, MP Biomedicals™
CAS: 130-95-0 Molecular Formula: C20H24N2O2 Molecular Weight (g/mol): 324.42 MDL Number: MFCD00198096 InChI Key: LOUPRKONTZGTKE-ZCXAXGJJNA-N Synonym: quinine,chinin,chinine,--quinine,qualaquin,6'-methoxycinchonidine,8s,9r-quinine,chininum,quinine sulfate,quinina PubChem CID: 129316724 IUPAC Name: (R)-[(2S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl](6-methoxyquinolin-4-yl)methanol SMILES: [H][C@@]1(CN2CCC1C[C@@]2([H])[C@H](O)C1=C2C=C(OC)C=CC2=NC=C1)C=C
| PubChem CID | 129316724 |
|---|---|
| CAS | 130-95-0 |
| Molecular Weight (g/mol) | 324.42 |
| MDL Number | MFCD00198096 |
| SMILES | [H][C@@]1(CN2CCC1C[C@@]2([H])[C@H](O)C1=C2C=C(OC)C=CC2=NC=C1)C=C |
| Synonym | quinine,chinin,chinine,--quinine,qualaquin,6'-methoxycinchonidine,8s,9r-quinine,chininum,quinine sulfate,quinina |
| IUPAC Name | (R)-[(2S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl](6-methoxyquinolin-4-yl)methanol |
| InChI Key | LOUPRKONTZGTKE-ZCXAXGJJNA-N |
| Molecular Formula | C20H24N2O2 |
3-O-Methyl-D-Glucose Crystalline powder MP Biomedicals
CAS: 13224-94-7 Molecular Formula: C7H14O6 Molecular Weight (g/mol): 194.18 MDL Number: MFCD00063266 InChI Key: SCBBSJMAPKXHAH-OVHBTUCOSA-N Synonym: 3-o-methyl-alpha-d-glucopyranose,3-o-methyl-a-d-glucopyranose,2s,3r,4s,5r,6r-6-hydroxymethyl-4-methoxytetrahydro-2h-pyran-2,3,5-triol,2s,3r,4s,5r,6r-6-hydroxymethyl-4-methoxyoxane-2,3,5-triol,3-o-methyl-,a-d-glucopyranose,3-o-methyl-alpha-d-glucose,a-d-glucopyranose,3-o-methyl,alpha-d-glucopyranose, 3-o-methyl,3-o-methyl-d-glucopyranose PubChem CID: 83246 IUPAC Name: (2S,3R,4S,5R,6R)-6-(hydroxymethyl)-4-methoxyoxane-2,3,5-triol SMILES: CO[C@@H]1[C@@H](O)[C@@H](O)O[C@H](CO)[C@H]1O
| PubChem CID | 83246 |
|---|---|
| CAS | 13224-94-7 |
| Molecular Weight (g/mol) | 194.18 |
| MDL Number | MFCD00063266 |
| SMILES | CO[C@@H]1[C@@H](O)[C@@H](O)O[C@H](CO)[C@H]1O |
| Synonym | 3-o-methyl-alpha-d-glucopyranose,3-o-methyl-a-d-glucopyranose,2s,3r,4s,5r,6r-6-hydroxymethyl-4-methoxytetrahydro-2h-pyran-2,3,5-triol,2s,3r,4s,5r,6r-6-hydroxymethyl-4-methoxyoxane-2,3,5-triol,3-o-methyl-,a-d-glucopyranose,3-o-methyl-alpha-d-glucose,a-d-glucopyranose,3-o-methyl,alpha-d-glucopyranose, 3-o-methyl,3-o-methyl-d-glucopyranose |
| IUPAC Name | (2S,3R,4S,5R,6R)-6-(hydroxymethyl)-4-methoxyoxane-2,3,5-triol |
| InChI Key | SCBBSJMAPKXHAH-OVHBTUCOSA-N |
| Molecular Formula | C7H14O6 |
4-Aminopyridine, ∽98%, MP Biomedicals™
CAS: 504-24-5 Molecular Formula: C5H6N2 Molecular Weight (g/mol): 94.117 InChI Key: NUKYPUAOHBNCPY-UHFFFAOYSA-N Synonym: 4-aminopyridine,fampridine,4-pyridinamine,dalfampridine,4-pyridylamine,avitrol,p-aminopyridine,4-ap,ampyra,gamma-aminopyridine PubChem CID: 1727 ChEBI: CHEBI:34385 IUPAC Name: pyridin-4-amine SMILES: C1=CN=CC=C1N
| PubChem CID | 1727 |
|---|---|
| CAS | 504-24-5 |
| Molecular Weight (g/mol) | 94.117 |
| ChEBI | CHEBI:34385 |
| SMILES | C1=CN=CC=C1N |
| Synonym | 4-aminopyridine,fampridine,4-pyridinamine,dalfampridine,4-pyridylamine,avitrol,p-aminopyridine,4-ap,ampyra,gamma-aminopyridine |
| IUPAC Name | pyridin-4-amine |
| InChI Key | NUKYPUAOHBNCPY-UHFFFAOYSA-N |
| Molecular Formula | C5H6N2 |
5-Iodouracil, 97%
CAS: 696-07-1 Molecular Formula: C4H3IN2O2 Molecular Weight (g/mol): 237.98 MDL Number: MFCD00006020 InChI Key: KSNXJLQDQOIRIP-UHFFFAOYSA-N Synonym: 5-iodouracil,5-iodopyrimidine-2,4 1h,3h-dione,2,4 1h,3h-pyrimidinedione, 5-iodo,uracil, 5-iodo,5-iodopyrimidine-2,4-diol,2,4-dihydroxy-5-iodopyrimidine,5-iodo uracil,unii-h59brk500m,chembl1173,5-iodo-1,2,3,4-tetrahydropyrimidine-2,4-dione PubChem CID: 69672 ChEBI: CHEBI:43636 IUPAC Name: 5-iodo-1H-pyrimidine-2,4-dione SMILES: IC1=CNC(=O)NC1=O
| PubChem CID | 69672 |
|---|---|
| CAS | 696-07-1 |
| Molecular Weight (g/mol) | 237.98 |
| ChEBI | CHEBI:43636 |
| MDL Number | MFCD00006020 |
| SMILES | IC1=CNC(=O)NC1=O |
| Synonym | 5-iodouracil,5-iodopyrimidine-2,4 1h,3h-dione,2,4 1h,3h-pyrimidinedione, 5-iodo,uracil, 5-iodo,5-iodopyrimidine-2,4-diol,2,4-dihydroxy-5-iodopyrimidine,5-iodo uracil,unii-h59brk500m,chembl1173,5-iodo-1,2,3,4-tetrahydropyrimidine-2,4-dione |
| IUPAC Name | 5-iodo-1H-pyrimidine-2,4-dione |
| InChI Key | KSNXJLQDQOIRIP-UHFFFAOYSA-N |
| Molecular Formula | C4H3IN2O2 |
4-Thiazolecarboxylic acid, 97%
CAS: 3973-08-8 Molecular Formula: C4H3NO2S Molecular Weight (g/mol): 129.14
| CAS | 3973-08-8 |
|---|---|
| Molecular Weight (g/mol) | 129.14 |
| Molecular Formula | C4H3NO2S |
2-(Chloromethyl)-1,3-benzoxazole, 95%
CAS: 41014-43-1 Molecular Formula: C8H6ClNO Molecular Weight (g/mol): 167.59 MDL Number: MFCD05664964 InChI Key: ANRDUCQCZKLSGF-UHFFFAOYSA-N Synonym: 2-chloromethyl-1,3-benzoxazole,2-chloromethyl benzo d oxazole,2-chloromethyl benzoxazole,benzoxazole, 2-chloromethyl,chloromethylbenzoxazole,2-chloromethylbenzoxazole,2-chloromethyl-benzooxazole,chloromethyl-benzoxazole,acmc-1aqt5 PubChem CID: 2061989 IUPAC Name: 2-(chloromethyl)-1,3-benzoxazole SMILES: ClCC1=NC2=CC=CC=C2O1
| PubChem CID | 2061989 |
|---|---|
| CAS | 41014-43-1 |
| Molecular Weight (g/mol) | 167.59 |
| MDL Number | MFCD05664964 |
| SMILES | ClCC1=NC2=CC=CC=C2O1 |
| Synonym | 2-chloromethyl-1,3-benzoxazole,2-chloromethyl benzo d oxazole,2-chloromethyl benzoxazole,benzoxazole, 2-chloromethyl,chloromethylbenzoxazole,2-chloromethylbenzoxazole,2-chloromethyl-benzooxazole,chloromethyl-benzoxazole,acmc-1aqt5 |
| IUPAC Name | 2-(chloromethyl)-1,3-benzoxazole |
| InChI Key | ANRDUCQCZKLSGF-UHFFFAOYSA-N |
| Molecular Formula | C8H6ClNO |
3-Acetylpyridine adenine dinucleotide, 90%
Molecular Formula: C22H28N6O14P2 Molecular Weight (g/mol): 662.44 MDL Number: MFCD00078882 InChI Key: KPVQNXLUPNWQHM-RBEMOOQDSA-N Synonym: 3-acetylpyridine adenine dinucleotide,acpyad,3-acetyl nad,3-acetylpyridine-dpn,3-acetylpyridine ad,dpn 3-acetylpyridine analog,3-acetylpyridine analog of dpn,acetylpyridine adenine dinucleotide,acetylpyridine-adenine dinucleotide,3-acetylpyridineadenine dinucleotide PubChem CID: 123926 SMILES: CC(=O)C1=CC=C[N+](=C1)[C@@H]1O[C@H](COP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O
| PubChem CID | 123926 |
|---|---|
| Molecular Weight (g/mol) | 662.44 |
| MDL Number | MFCD00078882 |
| SMILES | CC(=O)C1=CC=C[N+](=C1)[C@@H]1O[C@H](COP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O |
| Synonym | 3-acetylpyridine adenine dinucleotide,acpyad,3-acetyl nad,3-acetylpyridine-dpn,3-acetylpyridine ad,dpn 3-acetylpyridine analog,3-acetylpyridine analog of dpn,acetylpyridine adenine dinucleotide,acetylpyridine-adenine dinucleotide,3-acetylpyridineadenine dinucleotide |
| InChI Key | KPVQNXLUPNWQHM-RBEMOOQDSA-N |
| Molecular Formula | C22H28N6O14P2 |
Flavone, 99%
CAS: 525-82-6 Molecular Formula: C15H10O2 Molecular Weight (g/mol): 222.243 MDL Number: MFCD00006825 InChI Key: VHBFFQKBGNRLFZ-UHFFFAOYSA-N Synonym: flavone,2-phenylchromone,2-phenyl-4h-chromen-4-one,2-phenyl-4-chromone,2-phenyl-4-benzopyron,2-phenyl-4h-1-benzopyran-4-one,4h-1-benzopyran-4-one, 2-phenyl,asmacoril,chromocor,cromaril PubChem CID: 10680 ChEBI: CHEBI:42491 IUPAC Name: 2-phenylchromen-4-one SMILES: C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2
| PubChem CID | 10680 |
|---|---|
| CAS | 525-82-6 |
| Molecular Weight (g/mol) | 222.243 |
| ChEBI | CHEBI:42491 |
| MDL Number | MFCD00006825 |
| SMILES | C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2 |
| Synonym | flavone,2-phenylchromone,2-phenyl-4h-chromen-4-one,2-phenyl-4-chromone,2-phenyl-4-benzopyron,2-phenyl-4h-1-benzopyran-4-one,4h-1-benzopyran-4-one, 2-phenyl,asmacoril,chromocor,cromaril |
| IUPAC Name | 2-phenylchromen-4-one |
| InChI Key | VHBFFQKBGNRLFZ-UHFFFAOYSA-N |
| Molecular Formula | C15H10O2 |
Indole-3-butyric acid, MP Biomedicals™
CAS: 133-32-4 Molecular Formula: C12H13NO2 Molecular Weight (g/mol): 203.241 MDL Number: MFCD00005664 InChI Key: JTEDVYBZBROSJT-UHFFFAOYSA-N Synonym: indole-3-butyric acid,3-indolebutyric acid,4-1h-indol-3-yl butanoic acid,indolebutyric acid,hormodin,1h-indole-3-butanoic acid,seradix,indole-3-butanoic acid,jiffy grow,4-indol-3-yl butyric acid PubChem CID: 8617 ChEBI: CHEBI:33070 IUPAC Name: 4-(1H-indol-3-yl)butanoic acid SMILES: C1=CC=C2C(=C1)C(=CN2)CCCC(=O)O
| PubChem CID | 8617 |
|---|---|
| CAS | 133-32-4 |
| Molecular Weight (g/mol) | 203.241 |
| ChEBI | CHEBI:33070 |
| MDL Number | MFCD00005664 |
| SMILES | C1=CC=C2C(=C1)C(=CN2)CCCC(=O)O |
| Synonym | indole-3-butyric acid,3-indolebutyric acid,4-1h-indol-3-yl butanoic acid,indolebutyric acid,hormodin,1h-indole-3-butanoic acid,seradix,indole-3-butanoic acid,jiffy grow,4-indol-3-yl butyric acid |
| IUPAC Name | 4-(1H-indol-3-yl)butanoic acid |
| InChI Key | JTEDVYBZBROSJT-UHFFFAOYSA-N |
| Molecular Formula | C12H13NO2 |
6-Iodo-1H-indazole, 97%, Thermo Scientific™
CAS: 261953-36-0 Molecular Formula: C7H5IN2 Molecular Weight (g/mol): 244.03 MDL Number: MFCD04114695 InChI Key: RSGAXJZKQDNFEP-UHFFFAOYSA-N Synonym: 6-iodoindazole,1h-indazole, 6-iodo,6-iodo 1h indazole,6-iodo-indazole,pubchem18081,indazole, 6-iodo PubChem CID: 12991241 IUPAC Name: 6-iodo-1H-indazole SMILES: C1=CC2=C(C=C1I)NN=C2
| PubChem CID | 12991241 |
|---|---|
| CAS | 261953-36-0 |
| Molecular Weight (g/mol) | 244.03 |
| MDL Number | MFCD04114695 |
| SMILES | C1=CC2=C(C=C1I)NN=C2 |
| Synonym | 6-iodoindazole,1h-indazole, 6-iodo,6-iodo 1h indazole,6-iodo-indazole,pubchem18081,indazole, 6-iodo |
| IUPAC Name | 6-iodo-1H-indazole |
| InChI Key | RSGAXJZKQDNFEP-UHFFFAOYSA-N |
| Molecular Formula | C7H5IN2 |
4-Bromo-2-hydroxypyridine, 97%
CAS: 36953-37-4 Molecular Formula: C5H4BrNO Molecular Weight (g/mol): 174 MDL Number: MFCD00234041 InChI Key: SSLMGOKTIUIZLY-UHFFFAOYSA-N Synonym: 4-bromo-2-hydroxypyridine,4-bromopyridin-2-ol,4-bromopyridin-2 1h-one,4-bromo-2-pyridinol,4-bromo-1,2-dihydropyridin-2-one,4-bromo-2 1h-pyridinone,4-bromo-2-pyridone,4-bromo-2-hydroxy pyridine,2-hydroxy-4-bromopyridine,2 1h-pyridinone, 4-bromo PubChem CID: 817115 IUPAC Name: 4-bromo-1H-pyridin-2-one SMILES: C1=CNC(=O)C=C1Br
| PubChem CID | 817115 |
|---|---|
| CAS | 36953-37-4 |
| Molecular Weight (g/mol) | 174 |
| MDL Number | MFCD00234041 |
| SMILES | C1=CNC(=O)C=C1Br |
| Synonym | 4-bromo-2-hydroxypyridine,4-bromopyridin-2-ol,4-bromopyridin-2 1h-one,4-bromo-2-pyridinol,4-bromo-1,2-dihydropyridin-2-one,4-bromo-2 1h-pyridinone,4-bromo-2-pyridone,4-bromo-2-hydroxy pyridine,2-hydroxy-4-bromopyridine,2 1h-pyridinone, 4-bromo |
| IUPAC Name | 4-bromo-1H-pyridin-2-one |
| InChI Key | SSLMGOKTIUIZLY-UHFFFAOYSA-N |
| Molecular Formula | C5H4BrNO |
Proflavine hydrochloride, MP Biomedicals™
CAS: 952-23-8 Molecular Formula: C26H26Cl2N6O Molecular Weight (g/mol): 509.44 InChI Key: APOVFGFHTIKDOX-UHFFFAOYSA-N Synonym: acridine-3,6-diamine hydrochloride,proflavine hydrochloride,3,6-diaminoacridine hydrochloride,proflavine monohydrochloride,proflavin hydrochloride,proflavine hcl,3,6-diaminoacridine hcl,1,7-diaminoacridine hydrochloride,3,6-acridinediamine, monohydrochloride,3,6-diaminoacridine monohydrochloride PubChem CID: 197873 ChEBI: CHEBI:74718 IUPAC Name: dihydrogen bis(acridine-3,6-diamine) hydrate dichloride SMILES: [H+].[H+].O.[Cl-].[Cl-].NC1=CC2=NC3=CC(N)=CC=C3C=C2C=C1.NC1=CC2=NC3=CC(N)=CC=C3C=C2C=C1
| PubChem CID | 197873 |
|---|---|
| CAS | 952-23-8 |
| Molecular Weight (g/mol) | 509.44 |
| ChEBI | CHEBI:74718 |
| SMILES | [H+].[H+].O.[Cl-].[Cl-].NC1=CC2=NC3=CC(N)=CC=C3C=C2C=C1.NC1=CC2=NC3=CC(N)=CC=C3C=C2C=C1 |
| Synonym | acridine-3,6-diamine hydrochloride,proflavine hydrochloride,3,6-diaminoacridine hydrochloride,proflavine monohydrochloride,proflavin hydrochloride,proflavine hcl,3,6-diaminoacridine hcl,1,7-diaminoacridine hydrochloride,3,6-acridinediamine, monohydrochloride,3,6-diaminoacridine monohydrochloride |
| IUPAC Name | dihydrogen bis(acridine-3,6-diamine) hydrate dichloride |
| InChI Key | APOVFGFHTIKDOX-UHFFFAOYSA-N |
| Molecular Formula | C26H26Cl2N6O |
Palmitoleic acid, >99%, MP Biomedicals™
CAS: 61-25-6 Molecular Formula: C20H22ClNO4 Molecular Weight (g/mol): 375.849 InChI Key: UOTMYNBWXDUBNX-UHFFFAOYSA-N Synonym: papaverine hydrochloride,cardiospan,cardoverina,dispamil,drapavel,forpavin,papalease,papaversan,pavatest,paverolan PubChem CID: 6084 IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline;hydrochloride SMILES: COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC.Cl
| PubChem CID | 6084 |
|---|---|
| CAS | 61-25-6 |
| Molecular Weight (g/mol) | 375.849 |
| SMILES | COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC.Cl |
| Synonym | papaverine hydrochloride,cardiospan,cardoverina,dispamil,drapavel,forpavin,papalease,papaversan,pavatest,paverolan |
| IUPAC Name | 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline;hydrochloride |
| InChI Key | UOTMYNBWXDUBNX-UHFFFAOYSA-N |
| Molecular Formula | C20H22ClNO4 |