Organoheterocyclic compounds
Allopurinol, USP, 98-102%, Spectrum™ Chemical
CAS: 315-30-0 Molecular Formula: C5H4N4O Molecular Weight (g/mol): 136.11 MDL Number: MFCD00599413 InChI Key: OFCNXPDARWKPPY-UHFFFAOYSA-N IUPAC Name: 1H,2H,4H-pyrazolo[3,4-d]pyrimidin-4-one SMILES: O=C1N=CN=C2NNC=C12
3-Bromo-5-methylpyridin-2-amine, 97%, Thermo Scientific™
CAS: 17282-00-7 Molecular Formula: C6H7BrN2 Molecular Weight (g/mol): 187.04 MDL Number: MFCD00068231 InChI Key: NDPKXEWDWTZBDG-UHFFFAOYSA-N Synonym: 2-amino-3-bromo-5-methylpyridine,2-amino-3-bromo-5-picoline,6-amino-5-bromo-3-picoline,3-bromo-5-methyl-2-pyridinamine,2-amino-5-methyl-3-bromopyridine,2-pyridinamine, 3-bromo-5-methyl,3-bromo-5-methyl-pyridin-2-ylamine,3-bromo-5-methyl-2-pyridylamine,3-bromo-5-methylpyridin-2-ylamine,3-bromo-5-methylpyridin-1-ium-2-amine PubChem CID: 519380 IUPAC Name: 3-bromo-5-methylpyridin-2-amine SMILES: CC1=CC(=C(N=C1)N)Br
N-Methyl-(5-bromopyrid-2-yl)methylamine, ≥95%, Thermo Scientific™
CAS: 915707-70-9 Molecular Formula: C7H9BrN2 Molecular Weight (g/mol): 201.067 MDL Number: MFCD09065029 InChI Key: DCQLMECRAAGXSD-UHFFFAOYSA-N Synonym: n-methyl-5-bromopyrid-2-yl methylamine,5-bromopyridin-2-yl methyl methyl amine,5-bromo-2-methyl aminomethyl pyridine,1-5-bromopyridin-2-yl-n-methylmethylamine,1-5-bromopyridin-2-yl-n-methylmethanamine,2-pyridinemethanamine,5-bromo-n-methyl,5-bromo 2-pyridyl methyl methylamine,2-pyridinemethanamine, 5-bromo-n-methyl,5-bromo-pyridin-2-ylmethyl-methyl-amine PubChem CID: 24229777 IUPAC Name: 1-(5-bromopyridin-2-yl)-N-methylmethanamine SMILES: CNCC1=NC=C(C=C1)Br
2-(4-Fluorophenoxy)nicotinic acid, 97%, Thermo Scientific™
CAS: 54629-13-9 Molecular Formula: C12H8FNO3 Molecular Weight (g/mol): 233.198 MDL Number: MFCD00833409 InChI Key: SDZUYDOXBXHDCE-UHFFFAOYSA-N Synonym: 2-4-fluorophenoxy nicotinic acid,2-4-fluorophenoxy pyridine-3-carboxylic acid,2-4-fluoro-phenoxy-nicotinic acid,pubchem16292,acmc-1akqk,maybridge1_000048,2-4-fluorophenoxy-3-pyridinecarboxylic acid,3-pyridinecarboxylicacid, 2-4-fluorophenoxy,3-pyridinecarboxylic acid, 2-4-fluorophenoxy PubChem CID: 605123 IUPAC Name: 2-(4-fluorophenoxy)pyridine-3-carboxylic acid SMILES: C1=CC(=C(N=C1)OC2=CC=C(C=C2)F)C(=O)O
2-chloro-6-methoxyisonicotinic acid, 97%, Thermo Scientific™
CAS: 15855-06-8 Molecular Formula: C7H6ClNO3 Molecular Weight (g/mol): 187.579 MDL Number: MFCD00173928 InChI Key: PJQBTHQTVJMCFX-UHFFFAOYSA-N Synonym: 2-chloro-6-methoxyisonicotinic acid,2-chloro-6-methoxy-isonicotinic acid,4-pyridinecarboxylic acid, 2-chloro-6-methoxy,2-chloro-6-methoxy-4-pyridinecarboxylic acid,2-chloro-6-methoxyisonicotinicacid,acmc-1bs54,ksc173i0h,2-chloro-6-methoxypyridine-4-carboxylicacid PubChem CID: 2782124 IUPAC Name: 2-chloro-6-methoxypyridine-4-carboxylic acid SMILES: COC1=NC(=CC(=C1)C(=O)O)Cl
2-Chloro-6-methylisonicotinic acid, 95+%, Thermo Scientific™
CAS: 25462-85-5 Molecular Formula: C7H6ClNO2 Molecular Weight (g/mol): 171.58 InChI Key: ZGZMEKHQIZSZOH-UHFFFAOYSA-N Synonym: 2-chloro-6-methylisonicotinic acid,2-chloro-6-picoline-4-carboxylic acid,4-pyridinecarboxylic acid, 2-chloro-6-methyl,2-methyl-6-chloropyridine-4-carboxylic acid,2-chloro-6-methyl-pyridine-4-carboxylic acid,2-chloro-6-methyl-4-pyridinecarboxylic acid,2-chloro-6-methyl-isonicotinic acid,2-chloro-6-methyl-4-pyridinecarboxylicacid,2-chloro-6-methylisonicotinicacid,pubchem17665 PubChem CID: 141209 IUPAC Name: 2-chloro-6-methylpyridine-4-carboxylic acid SMILES: CC1=NC(=CC(=C1)C(=O)O)Cl
6-Phenoxynicotinic acid, 97%, Thermo Scientific™
CAS: 51362-38-0 Molecular Formula: C12H9NO3 Molecular Weight (g/mol): 215.208 MDL Number: MFCD02682068 InChI Key: GFEUNYLQJDQNAN-UHFFFAOYSA-N Synonym: 6-phenoxynicotinic acid,3-pyridinecarboxylic acid, 6-phenoxy,6-phenoxynicotinicacid,6-phenoxy-nicotinic acid,2-phenoxypyridine-5-carboxylic acid,3-pyridinecarboxylicacid, 6-phenoxy,6-phenyloxy-3-pyridinecarboxylic acid PubChem CID: 2776497 IUPAC Name: 6-phenoxypyridine-3-carboxylic acid SMILES: C1=CC=C(C=C1)OC2=NC=C(C=C2)C(=O)O
2-(1-Pyrrolidinyl)nicotinic acid, 95%, Thermo Scientific™
CAS: 690632-36-1 Molecular Formula: C10H12N2O2 Molecular Weight (g/mol): 192.22 MDL Number: MFCD05865128 InChI Key: DTUSJCJZQJAPGD-UHFFFAOYSA-N Synonym: 2-1-pyrrolidinyl nicotinic acid,2-pyrrolidin-1-yl pyridine-3-carboxylic acid,2-pyrrolidin-1-ylnicotinic acid,2-pyrrolidin-1-yl nicotinic acid,2-pyrrolidinylpyridine-3-carboxylic acid,2-1-pyrrolidinyl nicotinicacid,3-pyridinecarboxylic acid, 2-1-pyrrolidinyl PubChem CID: 2794739 SMILES: OC(=O)C1=C(N=CC=C1)N1CCCC1
5-(2-Phenyleth-1-ynyl)nicotinic acid, 97%, Thermo Scientific™
CAS: 175203-69-7 Molecular Formula: C14H9NO2 Molecular Weight (g/mol): 223.231 MDL Number: MFCD00174055 InChI Key: DXJZBANECHYHRT-UHFFFAOYSA-N Synonym: 5-2-phenyleth-1-ynyl nicotinic acid,5-2-phenylethynyl pyridine-3-carboxylic acid,5-phenylethynyl pyridine-3-carboxylic acid,3-pyridinecarboxylicacid, 5-2-phenylethynyl,maybridge1_004925,5-phenylethynylnicotinic acid,5-phenylethynyl-nicotinic acid,5-phenylethynyl nicotinic acid,5-phenylethynyl-pyridine-3-carboxylic acid PubChem CID: 2779236 IUPAC Name: 5-(2-phenylethynyl)pyridine-3-carboxylic acid SMILES: C1=CC=C(C=C1)C#CC2=CC(=CN=C2)C(=O)O
Methyl 3-amino-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate, ≥95%, Thermo Scientific™
CAS: 256353-38-5 Molecular Formula: C13H10F3NO2S Molecular Weight (g/mol): 301.28 MDL Number: MFCD00832742 InChI Key: FYUVISRLFPIWPP-UHFFFAOYSA-N Synonym: methyl 3-amino-4-phenyl-5-trifluoromethyl thiophene-2-carboxylate,methyl 3-amino-4-phenyl-5-trifluoromethyl-thiophene-2-carboxylate,2-thiophenecarboxylicacid, 3-amino-4-phenyl-5-trifluoromethyl-, methyl ester,maybridge1_007879,methyl 3-amino-4-phenyl-5-trifuoromethyl thiophene-2carboxylate,methyl 3-azanyl-4-phenyl-5-trifluoromethyl thiophene-2-carboxylate,methyl-3-amino-4-phenyl-5-trifluoromethyl thiophene-2-carboxylate,3-amino-4-phenyl-5-trifluoromethyl-2-thiophenecarboxylic acid methyl ester PubChem CID: 2775320 IUPAC Name: methyl 3-amino-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate SMILES: COC(=O)C1=C(N)C(=C(S1)C(F)(F)F)C1=CC=CC=C1
N-(1-Benzothien-2-ylmethyl)-N-methylamine hydrochloride, ≥97%, Thermo Scientific™
CAS: 849776-43-8 Molecular Formula: C10H12ClNS Molecular Weight (g/mol): 213.72 MDL Number: MFCD03306023 InChI Key: PBEZSHRKTUDPLK-UHFFFAOYSA-N Synonym: n-1-benzothien-2-ylmethyl-n-methylamine hydrochloride,1-benzo b thiophen-2-yl-n-methylmethanamine hydrochloride,1-benzothien-2-ylmethyl methylamine hydrochloride,1-benzothiophen-2-ylmethyl methyl amine hydrochloride,benzo b thiophen-2-ylmethyl-methyl-ammonium chloride,c10h11ns.hcl,benzo b thiophen-2-ylmethyl methylamine, chloride,1-benzo b thiophen-2-yl ;-n-methylmethanamine hydrochloride,1-1-benzothiophen-2-yl-n-methylmethanamine-hydrogen chloride 1/1 PubChem CID: 16956076 SMILES: Cl.CNCC1=CC2=CC=CC=C2S1
Methyl 4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate, 95%, Thermo Scientific™
CAS: 237385-98-7 Molecular Formula: C13H9F3O2S Molecular Weight (g/mol): 286.268 MDL Number: MFCD00110251 InChI Key: RDMSDMSSVFMCKQ-UHFFFAOYSA-N Synonym: methyl 4-phenyl-5-trifluoromethyl thiophene-2-carboxylate,methyl 4-phenyl-5-trifluoromethyl-thiophene-2-carboxylate,2-thiophenecarboxylicacid, 4-phenyl-5-trifluoromethyl-, methyl ester,2-methoxycarbonyl-4-phenyl-5-trifluoromethyl thiophene,methyl 4-phenyl-5-trifluoromethyl-2-thiophenecarboxylate,methyl 4-phenyl-5-trifluoromethyl thiophene-2carboxylate,4-phenyl-5-trifluoromethyl-2-thiophenecarboxylic acid methyl ester,4-phenyl-5-trifluoromethyl-thiophene-2-carboxylic acid methyl ester PubChem CID: 2781442 IUPAC Name: methyl 4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate SMILES: COC(=O)C1=CC(=C(S1)C(F)(F)F)C2=CC=CC=C2
5-(Methylsulfonyl)thiophene-2-carboxylic acid, 97%, Thermo Scientific™
CAS: 60166-86-1 Molecular Formula: C6H6O4S2 Molecular Weight (g/mol): 206.23 MDL Number: MFCD00173745 InChI Key: SLWRTVINHWIGTK-UHFFFAOYSA-N Synonym: 5-methylsulfonyl thiophene-2-carboxylic acid,5-methanesulfonylthiophene-2-carboxylic acid,2-thiophenecarboxylicacid, 5-methylsulfonyl,maybridge1_007675,5-methanesulfonyl-2-thiphenecarboxylic acid,5-methylsulfonyl-2-thiophenecarboxylic acid,2-thiophenecarboxylicacid,5-methylsulfonyl,5-methanesulfonyl thiophene-2-carboxylic acid PubChem CID: 2740497 IUPAC Name: 5-methylsulfonylthiophene-2-carboxylic acid SMILES: CS(=O)(=O)C1=CC=C(S1)C(O)=O
4-Bromo-5-chlorothiophene-2-sulfonyl chloride, ≥95%, Thermo Scientific™
CAS: 166964-35-8 Molecular Formula: C4HBrCl2O2S2 Molecular Weight (g/mol): 295.974 MDL Number: MFCD00052094 InChI Key: PABOKJJDABSQCK-UHFFFAOYSA-N Synonym: 3-bromo-2-chlorothiophene-5-sulfonyl chloride,4-bromo-5-chlorothiophene-2-sulphonyl chloride,4-bromo-5-chloro-2-thiophenesulfonyl chloride,4-bromo-5-chlorothiophene-2-sulphonylchloride,3-bromo-2-chlorothiophene-5-sulphonyl chloride,2-thiophenesulfonylchloride, 4-bromo-5-chloro,pubchem5475,4-bromo-5-chloro-thiophene-2-sulfonyl chloride,4-bromo-5-chlorothiophene-2-sulfonyl,4-bromanyl-5-chloranyl-thiophene-2-sulfonyl chloride PubChem CID: 2797220 IUPAC Name: 4-bromo-5-chlorothiophene-2-sulfonyl chloride SMILES: C1=C(SC(=C1Br)Cl)S(=O)(=O)Cl
5-Nitrothiophene-3-carbonitrile, 97%, Thermo Scientific™
CAS: 42137-23-5 Molecular Formula: C5H2N2O2S Molecular Weight (g/mol): 154.14 MDL Number: MFCD00052580 InChI Key: NACMZLGGHMPMKQ-UHFFFAOYSA-N Synonym: 2-nitrothiophene-4-carbonitrile,acmc-1aogv,maybridge1_003117,2-nitro-4-cyanothiophene,4-cyano-2-nitrothiophene,5-nitro-3-thiophenecarbonitrile,nacmzlgghmpmkq-uhfffaoysa,5-nitro-3-thiophenecarbonitrile #,5-nitro-thiophene-3-carbonitrile,5-nitro-3-thiophenecarbonitrile; 2-nitro-4-cyanothiophene; 2-cyano-4-nitrothiophene PubChem CID: 142579 IUPAC Name: 5-nitrothiophene-3-carbonitrile SMILES: [O-][N+](=O)C1=CC(=CS1)C#N