Organoheterocyclic compounds
tert-Butyl (S)-(-)-4-formyl-2,2-dimethyl-3-oxazolidinecarboxylate, 95%, Thermo Scientific Chemicals
CAS: 102308-32-7 Molecular Formula: C11H19NO4 Molecular Weight (g/mol): 229.28 MDL Number: MFCD00209557 InChI Key: PNJXYVJNOCLJLJ-MRVPVSSYSA-N Synonym: s---3-boc-2,2-dimethyloxazolidine-4-carboxaldehyde,tert-butyl s---4-formyl-2,2-dimethyl-3-oxazolidinecarboxylate,tert-butyl 4s-4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate,unii-41aj913hqi,s-tert-butyl 4-formyl-2,2-dimethyloxazolidine-3-carboxylate,1,1-dimethylethyl-s-4-formyl-2,2-dimethyl-3-oxazolidine carboxylate,s---3-tert-butoxycarbonyl-4-formyl-2,2-dimethyl-1,3-oxazolidine,s-4-formyl-2,2-dimethyl-oxazolidine-3-carboxylic acid tert-butyl ester,3-oxazolidinecarboxylic acid, 4-formyl-2,2-dimethyl-, 1,1-dimethylethyl ester, 4s,s---3-boc-4-formyl-2,2-dimethyl-1,3-oxazolidine PubChem CID: 179824 IUPAC Name: tert-butyl (4S)-4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate SMILES: CC1(N(C(CO1)C=O)C(=O)OC(C)(C)C)C
Ethyl 5-bromothiophene-2-carboxylate, 99%
CAS: 5751-83-7 Molecular Formula: C7H7BrO2S Molecular Weight (g/mol): 235.095 MDL Number: MFCD02683089 InChI Key: PZNHMXAOMDQLLE-UHFFFAOYSA-N Synonym: 5-bromothiophene-2-carboxylic acid ethyl ester,ethyl 5-bromo-2-thiophenecarboxylate,ethyl5-bromothiophene-2-carboxylate,5-bromo-thiophene-2-carboxylic acid ethyl ester,2-thiophenecarboxylic acid, 5-bromo-, ethyl ester,pubchem16118,acmc-209zz5,ksc494s9b,2-bromo-5-ethoxycarbonylthiophene,ethyl 5-bromothiophene-2carboxylate PubChem CID: 605723 IUPAC Name: ethyl 5-bromothiophene-2-carboxylate SMILES: CCOC(=O)C1=CC=C(S1)Br
Ethyl benzothiazole-2-carboxylate, 98%
CAS: 32137-76-1 Molecular Formula: C10H9NO2S Molecular Weight (g/mol): 207.247 MDL Number: MFCD00848360 InChI Key: VLQLCEXNNGQELL-UHFFFAOYSA-N Synonym: ethyl benzo d thiazole-2-carboxylate,ethyl benzothiazole-2-carboxylate,benzothiazole-2-carboxylic acid ethyl ester,2-benzothiazolecarboxylic acid, ethyl ester,ethyl 2-benzothiazolecarboxylate,ethyl1,3-benzothiazole-2-carboxylate,zlchem 880,pubchem23783,acmc-209hra,ksc490c5n PubChem CID: 640708 IUPAC Name: ethyl 1,3-benzothiazole-2-carboxylate SMILES: CCOC(=O)C1=NC2=CC=CC=C2S1
1,3-Thiazole-2-carboxylic acid, 95%, Thermo Scientific™
CAS: 14190-59-1 Molecular Formula: C4H3NO2S Molecular Weight (g/mol): 129.133 MDL Number: MFCD02094169 InChI Key: IJVLVRYLIMQVDD-UHFFFAOYSA-N Synonym: thiazole-2-carboxylic acid,2-thiazolecarboxylic acid,thiazole-2-carboxylicacid,2-carboxy-1,3-thiazole,thiazolecarboxylic acid,pubchem16257,thiazole carboxylic acid,2-carboxythiazole,acmc-209cn5 PubChem CID: 2762733 IUPAC Name: 1,3-thiazole-2-carboxylic acid SMILES: C1=CSC(=N1)C(=O)O
3-Picoline, 99%
CAS: 108-99-6 Molecular Formula: C6H7N Molecular Weight (g/mol): 93.13 MDL Number: MFCD00006402 InChI Key: ITQTTZVARXURQS-UHFFFAOYSA-N Synonym: 3-picoline,beta-picoline,pyridine, 3-methyl,m-picoline,m-methylpyridine,b-picoline,beta-methylpyridine,.beta.-methylpyridine,.beta.-picoline,meta-methylpyridine PubChem CID: 7970 ChEBI: CHEBI:39922 IUPAC Name: 3-methylpyridine SMILES: CC1=CN=CC=C1
Furfuryl mercaptan, 98+%
CAS: 98-02-2 Molecular Formula: C5H6OS Molecular Weight (g/mol): 114.162 MDL Number: MFCD00003254 InChI Key: ZFFTZDQKIXPDAF-UHFFFAOYSA-N Synonym: furfuryl mercaptan,2-furanmethanethiol,2-furylmethanethiol,furfuryl thiol,2-furylmethyl mercaptan,2-furfurylmercaptan,furan-2-yl-methanethiol,2-mercaptomethyl furan,furfurylmercaptan,2-furfurylthiol PubChem CID: 7363 IUPAC Name: furan-2-ylmethanethiol SMILES: C1=COC(=C1)CS
4-Amino-3,5-difluorobenzeneboronic acid pinacol ester, 96%, Thermo Scientific Chemicals
CAS: 939968-08-8 Molecular Formula: C12H16BF2NO2 Molecular Weight (g/mol): 255.072 MDL Number: MFCD18434474 InChI Key: JGOZEXIYNJERIP-UHFFFAOYSA-N Synonym: 2,6-difluoro-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl aniline,4-amino-3,5-difluorophenyl boronic acid pinacol ester,4-amino-3,5-difluorobenzeneboronic acid pinacol ester,4-amino-3,5-difluorophenylboronic acid pinacol ester,2,6-difluoro-4-4,4,5,5-tetramethyl-1,3,2-dioxabor,2,6-difluoro-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-aniline,2,6-difluoro-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-benzenamine,benzenamine, 2,6-difluoro-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl PubChem CID: 59231931 IUPAC Name: 2,6-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C(=C2)F)N)F
1H-Indazole-7-carboxylic acid, 97%, Thermo Scientific Chemicals
CAS: 677304-69-7 Molecular Formula: C8H6N2O2 Molecular Weight (g/mol): 162.15 MDL Number: MFCD06804572 InChI Key: WBCWIQCXHSXMDH-UHFFFAOYSA-N Synonym: 7-carboxy-1h-indazole,1h-indazole-7-carboxylicacid,indazole-7-carboxylic acid,7-indazole carboxylic acid,pubchem17673,acmc-1bl1h,ksc351o8t,2h-indazole-7-carboxylic acid,7-1h indazole carboxylic acid PubChem CID: 12639205 IUPAC Name: 1H-indazole-7-carboxylic acid SMILES: C1=CC2=C(C(=C1)C(=O)O)NN=C2
3,4-(Methylenedioxy)phenylacetonitrile, 98+%
CAS: 4439-02-5 Molecular Formula: C9H7NO2 Molecular Weight (g/mol): 161.16 MDL Number: MFCD00005835 InChI Key: ZQPBOYASBNAXOZ-UHFFFAOYSA-N Synonym: 3,4-methylenedioxy phenylacetonitrile,1,3-benzodioxole-5-acetonitrile,3,4-methylenedioxyphenylacetonitrile,2-benzo d 1,3 dioxol-5-yl acetonitrile,3,4-methylenedioxybenzyl cyanide,2-2h-1,3-benzodioxol-5-yl acetonitrile,1,3-benzodioxol-5-ylacetonitrile,2-1,3-benzodioxol-5-yl acetonitrile,3,4-methylenedioxybenzylcyanide,homopiperonylonitrile PubChem CID: 78178 IUPAC Name: 2-(1,3-benzodioxol-5-yl)acetonitrile SMILES: C1OC2=C(O1)C=C(C=C2)CC#N
6-Methyl-4-trifluoromethyl-2(1H)-pyridone, 97%
CAS: 22123-19-9 Molecular Formula: C7H6F3NO Molecular Weight (g/mol): 177.126 MDL Number: MFCD00042479 InChI Key: CDRMKCNOGIBXOG-UHFFFAOYSA-N Synonym: 6-methyl-4-trifluoromethyl pyridin-2 1h-one,6-methyl-4-trifluoromethyl-2 1h-pyridinone,6-methyl-4-trifluoromethyl pyridin-2-ol,6-methyl-4-trifluoromethyl-1h-pyridin-2-one,6-methyl-4-trifluoromethyl-2 1h-pyridone,2 1h-pyridinone,6-methyl-4-trifluoromethyl,2-hydroxy-6-methyl-4-trifluoromethyl pyridine,6-methyl-4-trifluoromethyl-1,2-dihydropyridin-2-one,6-methyl-4-trifluoromethyl hydropyridin-2-one,acmc-1cb5l PubChem CID: 2782992 IUPAC Name: 6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one SMILES: CC1=CC(=CC(=O)N1)C(F)(F)F
4-(1-Piperazinyl)aniline, 95%
CAS: 67455-41-8 Molecular Formula: C10H15N3 Molecular Weight (g/mol): 177.25 MDL Number: MFCD01365906 InChI Key: VAVOYRCCWLRTMS-UHFFFAOYSA-N Synonym: 4-piperazin-1-yl aniline,1-4-aminophenyl piperazine,4-piperazinoaniline,4-piperazin-1-yl-phenylamine,4-1-piperazinyl aniline,benzenamine,4-1-piperazinyl,4-piperazinylphenylamine,benzenamine, 4-1-piperazinyl,4-piperazin-1-ylphenylamine,1-p-aminophenyl piperazine PubChem CID: 422925 IUPAC Name: 4-piperazin-1-ylaniline SMILES: NC1=CC=C(C=C1)N1CCNCC1
2-Amino-4-methoxypyridine, 95%
CAS: 10201-73-7 Molecular Formula: C6H8N2O Molecular Weight (g/mol): 124.14 MDL Number: MFCD07437849 InChI Key: QPHBCOSULYSASF-UHFFFAOYSA-N Synonym: 2-amino-4-methoxypyridine,4-methoxy-pyridin-2-ylamine,2-amino-4-methoxylpyridine,4-methoxy-2-pyridylamine,2-amino-4-methoxy pyridine,2-pyridinamine, 4-methoxy,zlchem 190,pubchem5700,pubchem16566,4-methoxy-2-pyridinamine PubChem CID: 10898715 IUPAC Name: 4-methoxypyridin-2-amine SMILES: COC1=CC(N)=NC=C1
3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carboxylic acid, 97%, Thermo Scientific™
CAS: 3919-76-4 Molecular Formula: C11H7Cl2NO3 Molecular Weight (g/mol): 272.08 MDL Number: MFCD00051658 InChI Key: WQXUUMUOERZZAE-UHFFFAOYSA-N Synonym: 3-2,6-dichlorophenyl-5-methylisoxazole-4-carboxylic acid,5-methyl-3-2',6'-dichlorophenyl-4-isoxazolecarboxylic acid,4-isoxazolecarboxylic acid, 3-2,6-dichlorophenyl-5-methyl,3-2,6-dichlorophenyl-5-methyl-1,2-oxazole-4-carboxylic acid,3-2,6-dichlorophenyl-5-methyl-4-isoxazolecarboxylic acid,pubchem8684,dicloxacillin impurity d,acmc-1cmb3,pyridinium hydroxy propyl sulphobetaine; pps-oh,3-2,6-dichlorophenyl-5-methylisoxazol-4-carboxylic acid PubChem CID: 77521 IUPAC Name: 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylic acid SMILES: CC1=C(C(O)=O)C(=NO1)C1=C(Cl)C=CC=C1Cl
4-Cyano-4-phenylpiperidine hydrochloride, 97%
CAS: 51304-58-6 Molecular Formula: C12H15ClN2 Molecular Weight (g/mol): 222.716 MDL Number: MFCD00012775 InChI Key: CQPHZBOPSZGTJM-UHFFFAOYSA-N Synonym: 4-cyano-4-phenylpiperidine hydrochloride,4-phenylpiperidine-4-carbonitrile hydrochloride,4-cyano-4-phenylpiperidinehydrochloride,4-phenylpiperidine-4-carbonitrile, chloride,4-phenylpiperidine-4-carbonitrile hcl,pubchem19077,acmc-20a3zw,4-cyano-4-phenylpiperidine hcl,timtec-bb sbb003334,4-phenylisonipecotonitrile hydrochloride PubChem CID: 3084973 IUPAC Name: 4-phenylpiperidine-4-carbonitrile;hydrochloride SMILES: C1CNCCC1(C#N)C2=CC=CC=C2.Cl
1-n-Butyl-3-methylimidazolium chloride, 96%
CAS: 79917-90-1 Molecular Formula: C8H15ClN2 Molecular Weight (g/mol): 174.67 MDL Number: MFCD03095425 InChI Key: FHDQNOXQSTVAIC-UHFFFAOYSA-M Synonym: 1-butyl-3-methylimidazolium chloride,3-butyl-1-methyl-1h-imidazol-3-ium chloride,1-n-butyl-3-methylimidazolium chloride,bmimcl,bmim cl,c4mim chloride,dsstox_cid_11461,dsstox_rid_78878,dsstox_gsid_31461 PubChem CID: 2734161 SMILES: [Cl-].CCCCN1C=C[N+](C)=C1