Organoheterocyclic compounds
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Pyrazine-2,5-dicarboxylic acid, 95%
CAS: 122-05-4 Molecular Formula: C6H4N2O4 Molecular Weight (g/mol): 168.11 MDL Number: MFCD00216919 InChI Key: GMIOYJQLNFNGPR-UHFFFAOYSA-N Synonym: 2,5-pyrazinedicarboxylic acid,2,5-pyrazinedicarboxylicacid,pubchem8868,2,5-pyrazine-diacid,ksc177q1r,pyrazinedicarboxylic-2,5 acid PubChem CID: 255280 IUPAC Name: pyrazine-2,5-dicarboxylic acid SMILES: OC(=O)C1=CN=C(C=N1)C(O)=O
| PubChem CID | 255280 |
|---|---|
| CAS | 122-05-4 |
| Molecular Weight (g/mol) | 168.11 |
| MDL Number | MFCD00216919 |
| SMILES | OC(=O)C1=CN=C(C=N1)C(O)=O |
| Synonym | 2,5-pyrazinedicarboxylic acid,2,5-pyrazinedicarboxylicacid,pubchem8868,2,5-pyrazine-diacid,ksc177q1r,pyrazinedicarboxylic-2,5 acid |
| IUPAC Name | pyrazine-2,5-dicarboxylic acid |
| InChI Key | GMIOYJQLNFNGPR-UHFFFAOYSA-N |
| Molecular Formula | C6H4N2O4 |
Thymine, >99%, MP Biomedicals™
CAS: 65-71-4 Molecular Formula: C5H6N2O2 Molecular Weight (g/mol): 126.115 InChI Key: RWQNBRDOKXIBIV-UHFFFAOYSA-N Synonym: thymine,5-methyluracil,thymin,2,4-dihydroxy-5-methylpyrimidine,thymine anhydrate,2,4 1h,3h-pyrimidinedione, 5-methyl,5-methylpyrimidine-2,4 1h,3h-dione,5-methyl-2,4 1h,3h-pyrimidinedione,thymin purine base,5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione PubChem CID: 1135 ChEBI: CHEBI:17821 IUPAC Name: 5-methyl-1H-pyrimidine-2,4-dione SMILES: CC1=CNC(=O)NC1=O
| PubChem CID | 1135 |
|---|---|
| CAS | 65-71-4 |
| Molecular Weight (g/mol) | 126.115 |
| ChEBI | CHEBI:17821 |
| SMILES | CC1=CNC(=O)NC1=O |
| Synonym | thymine,5-methyluracil,thymin,2,4-dihydroxy-5-methylpyrimidine,thymine anhydrate,2,4 1h,3h-pyrimidinedione, 5-methyl,5-methylpyrimidine-2,4 1h,3h-dione,5-methyl-2,4 1h,3h-pyrimidinedione,thymin purine base,5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione |
| IUPAC Name | 5-methyl-1H-pyrimidine-2,4-dione |
| InChI Key | RWQNBRDOKXIBIV-UHFFFAOYSA-N |
| Molecular Formula | C5H6N2O2 |
1-(2-Chloroethyl)-2-pyrrolidone, 95%
CAS: 51333-90-5 Molecular Formula: C6H10ClNO Molecular Weight (g/mol): 147.60 MDL Number: MFCD00169064 InChI Key: CWLYHDWHNFLUEI-UHFFFAOYSA-N Synonym: 1-2-chloroethyl pyrrolidin-2-one,1-2-chloro-ethyl-pyrrolidin-2-one,1-2-chloroethyl-2-pyrrolidinone,2-pyrrolidinone, 1-2-chloroethyl,n-2-chloroethyl-2-pyrrolidone,1-2-chloroethyl-2-pyrrolidone,n-beta-chloroethyl-pyrrolidinone,1-2-chloroethyl-pyrrolidin-2-one,n-beta-chloroethyl-2-pyrrolidinone PubChem CID: 3156650 IUPAC Name: 1-(2-chloroethyl)pyrrolidin-2-one SMILES: ClCCN1CCCC1=O
| PubChem CID | 3156650 |
|---|---|
| CAS | 51333-90-5 |
| Molecular Weight (g/mol) | 147.60 |
| MDL Number | MFCD00169064 |
| SMILES | ClCCN1CCCC1=O |
| Synonym | 1-2-chloroethyl pyrrolidin-2-one,1-2-chloro-ethyl-pyrrolidin-2-one,1-2-chloroethyl-2-pyrrolidinone,2-pyrrolidinone, 1-2-chloroethyl,n-2-chloroethyl-2-pyrrolidone,1-2-chloroethyl-2-pyrrolidone,n-beta-chloroethyl-pyrrolidinone,1-2-chloroethyl-pyrrolidin-2-one,n-beta-chloroethyl-2-pyrrolidinone |
| IUPAC Name | 1-(2-chloroethyl)pyrrolidin-2-one |
| InChI Key | CWLYHDWHNFLUEI-UHFFFAOYSA-N |
| Molecular Formula | C6H10ClNO |
Thermo Scientific Chemicals 2,3:4,5-Di-O-isopropylidene-beta-D-fructopyranose, 98%
CAS: 20880-92-6 Molecular Formula: C12H20O6 Molecular Weight (g/mol): 260.286 MDL Number: MFCD00022183 InChI Key: PSSHGMIAIUYOJF-OZFQHSNDSA-N Synonym: 2,3:4,5-bis-o-1,2 methylethylidene-beta-d-fruetopyranose PubChem CID: 45357248 IUPAC Name: [(3aR,5aS,8aS)-2,2,7,7-tetramethyl-5,5a,8a,8b-tetrahydrodi[1,3]dioxolo[4,5-a SMILES: CC1(OC2COC3(C(C2O1)OC(O3)(C)C)CO)C
| PubChem CID | 45357248 |
|---|---|
| CAS | 20880-92-6 |
| Molecular Weight (g/mol) | 260.286 |
| MDL Number | MFCD00022183 |
| SMILES | CC1(OC2COC3(C(C2O1)OC(O3)(C)C)CO)C |
| Synonym | 2,3:4,5-bis-o-1,2 methylethylidene-beta-d-fruetopyranose |
| IUPAC Name | [(3aR,5aS,8aS)-2,2,7,7-tetramethyl-5,5a,8a,8b-tetrahydrodi[1,3]dioxolo[4,5-a |
| InChI Key | PSSHGMIAIUYOJF-OZFQHSNDSA-N |
| Molecular Formula | C12H20O6 |
4-Bromo-2-hydroxypyridine, 97%
CAS: 36953-37-4 Molecular Formula: C5H4BrNO Molecular Weight (g/mol): 173.997 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) | 173.997 |
| 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 |
3-Ethylpyridine, 98%
CAS: 536-78-7 Molecular Formula: C7H9N Molecular Weight (g/mol): 107.156 MDL Number: MFCD00006413 InChI Key: MFEIKQPHQINPRI-UHFFFAOYSA-N Synonym: pyridine, 3-ethyl,3-ethyl pyridine,beta-lutidine,beta-ethylpyridine,3-ethyl-pyridine,5-ethylpyridine,unii-a25i3ez88v,lutidine, beta,3ethylpyridine,fema no. 3394 PubChem CID: 10823 IUPAC Name: 3-ethylpyridine SMILES: CCC1=CN=CC=C1
| PubChem CID | 10823 |
|---|---|
| CAS | 536-78-7 |
| Molecular Weight (g/mol) | 107.156 |
| MDL Number | MFCD00006413 |
| SMILES | CCC1=CN=CC=C1 |
| Synonym | pyridine, 3-ethyl,3-ethyl pyridine,beta-lutidine,beta-ethylpyridine,3-ethyl-pyridine,5-ethylpyridine,unii-a25i3ez88v,lutidine, beta,3ethylpyridine,fema no. 3394 |
| IUPAC Name | 3-ethylpyridine |
| InChI Key | MFEIKQPHQINPRI-UHFFFAOYSA-N |
| Molecular Formula | C7H9N |
3-Piperidinecarboxylic Acid, Spectrum™ Chemical
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CAS: 498-95-3
| CAS | 498-95-3 |
|---|
Methyl isonicotinate, 98%
CAS: 9-8-2459 Molecular Formula: C7H7NO2 Molecular Weight (g/mol): 137.14 MDL Number: MFCD00006427 InChI Key: OLXYLDUSSBULGU-UHFFFAOYSA-N Synonym: methyl isonicotinate,isonicotinic acid methyl ester,4-pyridinecarboxylic acid, methyl ester,4-picolinic acid methyl ester,4-methoxycarbonylpyridine,methylisonicotinate,methyl 4-pyridinecarboxylate,4-carbomethoxypyridine,isonicotinic acid, methyl ester,i-nicotinic acid, methyl ester PubChem CID: 227085 IUPAC Name: methyl pyridine-4-carboxylate SMILES: COC(=O)C1=CC=NC=C1
| PubChem CID | 227085 |
|---|---|
| CAS | 9-8-2459 |
| Molecular Weight (g/mol) | 137.14 |
| MDL Number | MFCD00006427 |
| SMILES | COC(=O)C1=CC=NC=C1 |
| Synonym | methyl isonicotinate,isonicotinic acid methyl ester,4-pyridinecarboxylic acid, methyl ester,4-picolinic acid methyl ester,4-methoxycarbonylpyridine,methylisonicotinate,methyl 4-pyridinecarboxylate,4-carbomethoxypyridine,isonicotinic acid, methyl ester,i-nicotinic acid, methyl ester |
| IUPAC Name | methyl pyridine-4-carboxylate |
| InChI Key | OLXYLDUSSBULGU-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO2 |
2-Phenylpyridine, 97%
CAS: 1008-89-5 Molecular Formula: C11H9N Molecular Weight (g/mol): 155.20 MDL Number: MFCD00006280,MFCD31699954 InChI Key: VQGHOUODWALEFC-UHFFFAOYSA-N Synonym: pyridine, 2-phenyl,o-phenylpyridine,pyridine, phenyl,2-phenyl-pyridine,phenyl pyridine,2-azabiphenyl,2-phenyl pyridine,2-phenylpyridine,pubchem13085,2-phenylpyridine???? PubChem CID: 13887 IUPAC Name: 2-phenylpyridine SMILES: C1=CC=C(C=C1)C1=CC=CC=N1
| PubChem CID | 13887 |
|---|---|
| CAS | 1008-89-5 |
| Molecular Weight (g/mol) | 155.20 |
| MDL Number | MFCD00006280,MFCD31699954 |
| SMILES | C1=CC=C(C=C1)C1=CC=CC=N1 |
| Synonym | pyridine, 2-phenyl,o-phenylpyridine,pyridine, phenyl,2-phenyl-pyridine,phenyl pyridine,2-azabiphenyl,2-phenyl pyridine,2-phenylpyridine,pubchem13085,2-phenylpyridine???? |
| IUPAC Name | 2-phenylpyridine |
| InChI Key | VQGHOUODWALEFC-UHFFFAOYSA-N |
| Molecular Formula | C11H9N |
4-(1-Pyrrolidinyl)-1-butylamine, 98%
CAS: 24715-90-0 Molecular Formula: C8H18N2 Molecular Weight (g/mol): 142.25 MDL Number: MFCD00192591 InChI Key: LSDYCEIPEBJKPT-UHFFFAOYSA-N Synonym: 4-pyrrolidin-1-yl butan-1-amine,4-1-pyrrolidinyl-1-butanamine,1-pyrrolidinebutanamine,4-1-pyrrolidino butylamine,4-pyrrolidinobutylamine,4-1-pyrrolidinyl-1-butylamine,1-4-aminobutyl pyrrolidine,4-pyrrolidin-1-yl-butylamine,4-pyrrolidinylbutylamine,1-pyrrolidinebutylamine PubChem CID: 2762762 IUPAC Name: 4-pyrrolidin-1-ylbutan-1-amine SMILES: NCCCCN1CCCC1
| PubChem CID | 2762762 |
|---|---|
| CAS | 24715-90-0 |
| Molecular Weight (g/mol) | 142.25 |
| MDL Number | MFCD00192591 |
| SMILES | NCCCCN1CCCC1 |
| Synonym | 4-pyrrolidin-1-yl butan-1-amine,4-1-pyrrolidinyl-1-butanamine,1-pyrrolidinebutanamine,4-1-pyrrolidino butylamine,4-pyrrolidinobutylamine,4-1-pyrrolidinyl-1-butylamine,1-4-aminobutyl pyrrolidine,4-pyrrolidin-1-yl-butylamine,4-pyrrolidinylbutylamine,1-pyrrolidinebutylamine |
| IUPAC Name | 4-pyrrolidin-1-ylbutan-1-amine |
| InChI Key | LSDYCEIPEBJKPT-UHFFFAOYSA-N |
| Molecular Formula | C8H18N2 |
Bendazac, Thermo Scientific Chemicals
CAS: 20187-55-7 Molecular Formula: C16H13N2NaO3 Molecular Weight (g/mol): 304.28 InChI Key: GHFGHIKJGVMEFT-UHFFFAOYSA-M IUPAC Name: sodium 2-[(1-benzyl-1H-indazol-3-yl)oxy]acetate SMILES: [Na+].[O-]C(=O)COC1=NN(CC2=CC=CC=C2)C2=CC=CC=C12
| CAS | 20187-55-7 |
|---|---|
| Molecular Weight (g/mol) | 304.28 |
| SMILES | [Na+].[O-]C(=O)COC1=NN(CC2=CC=CC=C2)C2=CC=CC=C12 |
| IUPAC Name | sodium 2-[(1-benzyl-1H-indazol-3-yl)oxy]acetate |
| InChI Key | GHFGHIKJGVMEFT-UHFFFAOYSA-M |
| Molecular Formula | C16H13N2NaO3 |
Manganese(II) phthalocyanine
CAS: 14325-24-7 Molecular Formula: C32H16MnN8 Molecular Weight (g/mol): 567.474 MDL Number: MFCD00049821 InChI Key: ICIFYHOILPYQKB-UHFFFAOYSA-N PubChem CID: 6508743 SMILES: C1=CC=C2C(=C1)C3=NC4=C5C=CC=CC5=C([N-]4)N=C6C7=CC=CC=C7C(=N6)N=C8C9=CC=CC=C9C(=N8)N=C2[N-]3.[Mn+2]
| PubChem CID | 6508743 |
|---|---|
| CAS | 14325-24-7 |
| Molecular Weight (g/mol) | 567.474 |
| MDL Number | MFCD00049821 |
| SMILES | C1=CC=C2C(=C1)C3=NC4=C5C=CC=CC5=C([N-]4)N=C6C7=CC=CC=C7C(=N6)N=C8C9=CC=CC=C9C(=N8)N=C2[N-]3.[Mn+2] |
| InChI Key | ICIFYHOILPYQKB-UHFFFAOYSA-N |
| Molecular Formula | C32H16MnN8 |
4-(1-Pyrrolidinyl)piperidine, 99%
CAS: 5004-07-9 Molecular Formula: C9H18N2 Molecular Weight (g/mol): 154.25 MDL Number: MFCD00038011 InChI Key: STWODXDTKGTVCJ-UHFFFAOYSA-N
| CAS | 5004-07-9 |
|---|---|
| Molecular Weight (g/mol) | 154.25 |
| MDL Number | MFCD00038011 |
| InChI Key | STWODXDTKGTVCJ-UHFFFAOYSA-N |
| Molecular Formula | C9H18N2 |
4-Amino-2-chloropyrimidine-5-carbonitrile, 97%, Thermo Scientific™
CAS: 94741-69-2 Molecular Formula: C5H3ClN4 Molecular Weight (g/mol): 154.56 MDL Number: MFCD00052343 InChI Key: WDHFCSOENXEMRC-UHFFFAOYSA-N Synonym: 4-amino-2-chloro-5-pyrimidinecarbonitrile,5-pyrimidinecarbonitrile, 4-amino-2-chloro,4-amino-2-chloro-pyrimidine-5-carbonitrile,pubchem6934,kinome_3477,acmc-209rte,buttpark 6040-60,aminochloropyrimidinecarbonitrile,2-chloro-4-amino-5-cyanopyrimidine,4-amino-2-chloro-5-cyanopyrimidine PubChem CID: 2801166 IUPAC Name: 4-amino-2-chloropyrimidine-5-carbonitrile SMILES: NC1=NC(Cl)=NC=C1C#N
| PubChem CID | 2801166 |
|---|---|
| CAS | 94741-69-2 |
| Molecular Weight (g/mol) | 154.56 |
| MDL Number | MFCD00052343 |
| SMILES | NC1=NC(Cl)=NC=C1C#N |
| Synonym | 4-amino-2-chloro-5-pyrimidinecarbonitrile,5-pyrimidinecarbonitrile, 4-amino-2-chloro,4-amino-2-chloro-pyrimidine-5-carbonitrile,pubchem6934,kinome_3477,acmc-209rte,buttpark 6040-60,aminochloropyrimidinecarbonitrile,2-chloro-4-amino-5-cyanopyrimidine,4-amino-2-chloro-5-cyanopyrimidine |
| IUPAC Name | 4-amino-2-chloropyrimidine-5-carbonitrile |
| InChI Key | WDHFCSOENXEMRC-UHFFFAOYSA-N |
| Molecular Formula | C5H3ClN4 |
Methyl 3-aminothiophene-4-carboxylate hydrochloride, 97+%
CAS: 39978-14-8 Molecular Formula: C6H7NO2S Molecular Weight (g/mol): 157.19 MDL Number: MFCD00068149 InChI Key: BUFZZXCVOFBHLS-UHFFFAOYSA-N Synonym: methyl 4-aminothiophene-3-carboxylate hydrochloride,methyl 3-aminothiophene-4-carboxylate hydrochloride,3-carbomethoxy-4-aminothiophene hydrochloride,acmc-209zkz,methyl 4-aminothiophene-3-carboxylate, chloride,3-amino-4-methoxycarbonylthiophene hydrochloride,4-amino-3-methoxycarbonylthiophene hydrochloride,methyl3-aminothiophene-4-carboxylatehydrochloride,4-amino-3-methoxycarbonyl thiophene hydrochloride,methyl 4-aminothiophen-3-carboxylate hydrochloride PubChem CID: 2777609 SMILES: COC(=O)C1=CSC=C1N
| PubChem CID | 2777609 |
|---|---|
| CAS | 39978-14-8 |
| Molecular Weight (g/mol) | 157.19 |
| MDL Number | MFCD00068149 |
| SMILES | COC(=O)C1=CSC=C1N |
| Synonym | methyl 4-aminothiophene-3-carboxylate hydrochloride,methyl 3-aminothiophene-4-carboxylate hydrochloride,3-carbomethoxy-4-aminothiophene hydrochloride,acmc-209zkz,methyl 4-aminothiophene-3-carboxylate, chloride,3-amino-4-methoxycarbonylthiophene hydrochloride,4-amino-3-methoxycarbonylthiophene hydrochloride,methyl3-aminothiophene-4-carboxylatehydrochloride,4-amino-3-methoxycarbonyl thiophene hydrochloride,methyl 4-aminothiophen-3-carboxylate hydrochloride |
| InChI Key | BUFZZXCVOFBHLS-UHFFFAOYSA-N |
| Molecular Formula | C6H7NO2S |