Organoheterocyclic compounds
3-Benzyl-5-(2-hydroxyethyl)-4-methylthiazolium chloride, 98%
CAS: 4568-71-2 Molecular Formula: C13H16ClNOS Molecular Weight (g/mol): 269.79 MDL Number: MFCD00011959 InChI Key: IWSVLBKHBJGMAA-UHFFFAOYSA-M Synonym: 3-benzyl-5-2-hydroxyethyl-4-methylthiazolium chloride,3-benzyl-5-2-hydroxyethyl-4-methylthiazol-3-ium chloride,3-benzyl-5-2-hydroxyethyl-4-methyl-1,3-thiazol-3-ium chloride,thiazolium, 5-2-hydroxyethyl-4-methyl-3-phenylmethyl-, chloride,2-4-methyl-3-benzyl-1,3-thiazol-5-yl ethan-1-ol, chloride,acmc-1aqyn,3-benzyl-5-2-hydroxyethyl thazolium chloride,3-benzyl-4-methyl-5-hydroxyethylthiazolium chloride,3-benzyl-5-hydroxyethyl-4-methylthiazolium chloride,3-benzyl-5 2-hydroxyethyl-4-methylthiazolium chloride PubChem CID: 2833352 SMILES: [Cl-].CC1=C(CCO)SC=[N+]1CC1=CC=CC=C1
4-Thiazolecarboxylic acid, 97%
CAS: 3973-08-8 Molecular Formula: C4H3NO2S Molecular Weight (g/mol): 129.14 ChEBI: CHEBI:46230
5-Bromo-3-fluoropyridine-2-carboxylic acid, 97%, Thermo Scientific Chemicals
CAS: 669066-91-5 Molecular Formula: C6H3BrFNO2 Molecular Weight (g/mol): 220.00 MDL Number: MFCD07437865 InChI Key: JXHUXOAJAYWMHK-UHFFFAOYSA-N PubChem CID: 21075872 IUPAC Name: 5-bromo-3-fluoropyridine-2-carboxylic acid SMILES: OC(=O)C1=NC=C(Br)C=C1F
3-Methylphthalic anhydride, 96%
CAS: 4792-30-7 Molecular Formula: C9H6O3 Molecular Weight (g/mol): 162.14 MDL Number: MFCD00047316 InChI Key: TWWAWPHAOPTQEU-UHFFFAOYSA-N Synonym: 3-methylphthalic anhydride,4-methylisobenzofuran-1,3-dione,1,3-isobenzofurandione, 4-methyl,3-methyl phthalic anhydride,methylphthalic anhydride,phthalic anhydride, 3-methyl,2,3-toluenedicarboxylic anhydride,1,3-isobenzofurandione, methyl,4-methyl-1,3-dihydro-2-benzofuran-1,3-dione,acmc-1arrb PubChem CID: 98500 IUPAC Name: 4-methyl-2-benzofuran-1,3-dione SMILES: CC1=CC=CC2=C1C(=O)OC2=O
2-Quinolinecarbonitrile, 97%
CAS: 1436-43-7 Molecular Formula: C10H6N2 Molecular Weight (g/mol): 154.17 MDL Number: MFCD00134341 InChI Key: WDXARTMCIRVMAE-UHFFFAOYSA-N Synonym: 2-quinolinecarbonitrile,quinaldonitrile,2-cyanoquinoline,quinolinecarbonitrile,cyanoquinoline,2-cyano-quinoline,quinoline-2-carbinitrile,acmc-1bzd0 PubChem CID: 74031 IUPAC Name: quinoline-2-carbonitrile SMILES: N#CC1=CC=C2C=CC=CC2=N1
4-Nitro-2,3-lutidine N-oxide, 97%, Thermo Scientific™
CAS: 37699-43-7 Molecular Formula: C7H8N2O3 Molecular Weight (g/mol): 168.15 MDL Number: MFCD00065172 InChI Key: CFMTVTYBZMKULI-UHFFFAOYSA-N Synonym: 2,3-dimethyl-4-nitropyridine-n-oxide,2,3-dimethyl-4-nitropyridine 1-oxide,2,3-dimethyl-4-nitropyridine n-oxide,4-nitro-2,3-lutidine-n-oxide,pyridine, 2,3-dimethyl-4-nitro-, 1-oxide,2,3-dimethyl-4-nitropyridin-1-ium-1-olate,4-nitro-2,3-lutidine n-oxide,4-nitro-2,3-dimethylpyridine n-oxide,2,3-dimethyl-4-nitro-pyridine 1-oxide,2,3-dimethyl-4-nitro-1-oxido-pyridin-1-ium PubChem CID: 148223 IUPAC Name: 2,3-dimethyl-4-nitro-1-oxidopyridin-1-ium SMILES: CC1=C(C)[N+]([O-])=CC=C1[N+]([O-])=O
6-Quinolinecarboxylic Acid, 98%
CAS: 10349-57-2 Molecular Formula: C10H7NO2 Molecular Weight (g/mol): 173.17 MDL Number: MFCD00047613 InChI Key: VXGYRCVTBHVXMZ-UHFFFAOYSA-N Synonym: 6-quinolinecarboxylic acid,pubchem7578,quinoline-6-carboylic acid,quinolin-6-carboxylic acid,6-quinoline carboxylic acid,6-quinoline-carboxylic acid,ksc177e5h,vxgyrcvtbhvxmz-uhfffaoysa,2-3-cyclopentyl-2-oxo-2,3-dihydro-1h-imidazo 4,5-b pyridin-1-yl-n-2,3-dihydro-1,4-benzodioxin-6-yl acetamide PubChem CID: 82571 IUPAC Name: quinoline-6-carboxylic acid SMILES: C1=CC2=C(C=CC(=C2)C(=O)O)N=C1
Thermo Scientific Chemicals DL-Thioctic Acid, 98+%
CAS: 1077-28-7 Molecular Formula: C8H14O2S2 Molecular Weight (g/mol): 206.32 MDL Number: MFCD00005474 InChI Key: AGBQKNBQESQNJD-UHFFFAOYNA-N Synonym: dl-thioctic acid,thioctic acid,alpha-lipoic acid,5-1,2-dithiolan-3-yl pentanoic acid,dl-alpha-lipoic acid,1,2-dithiolane-3-pentanoic acid,6,8-thioctic acid,thioctacid,6-thioctic acid,alpha lipoic acid PubChem CID: 864 ChEBI: CHEBI:16494 IUPAC Name: 5-(dithiolan-3-yl)pentanoic acid SMILES: OC(=O)CCCCC1CCSS1
4-Amino-2-mercaptopyrimidine, 97%
CAS: 333-49-3 Molecular Formula: C4H5N3S Molecular Weight (g/mol): 127.17 InChI Key: DCPSTSVLRXOYGS-UHFFFAOYSA-N Synonym: 2-thiocytosine,4-amino-2-mercaptopyrimidine,thiocytosine,4-aminopyrimidine-2-thiol,cytosine, thio,cytosine, 2-thio,2 1h-pyrimidinethione, 4-amino,2 1h-pyrimidinone, 4-aminothio,4-amino-2 1h-pyrimidinethione,4-amino-2-thiopyrimidine PubChem CID: 2724245 IUPAC Name: 6-amino-1H-pyrimidine-2-thione SMILES: C1=C(NC(=S)N=C1)N
D(-)-Pantolactone, 99%
CAS: 599-04-2 Molecular Formula: C6H10O3 Molecular Weight (g/mol): 130.14 MDL Number: MFCD00005392 InChI Key: SERHXTVXHNVDKA-BYPYZUCNSA-N Synonym: d---pantolactone,r-pantolactone,d-pantolactone,r-pantoyl lactone,d---pantoyl lactone,pantothenic lactone,r-3-hydroxy-4,4-dimethyldihydrofuran-2 3h-one,unii-j288d7o0js,2 3h-furanone, dihydro-3-hydroxy-4,4-dimethyl-, 3r,r---pantolactone PubChem CID: 439368 ChEBI: CHEBI:16719 IUPAC Name: (3R)-3-hydroxy-4,4-dimethyloxolan-2-one SMILES: CC1(COC(=O)C1O)C
Methyl orotate, 95%
CAS: 6153-44-2 Molecular Formula: C6H6N2O4 Molecular Weight (g/mol): 170.12 MDL Number: MFCD00010564 InChI Key: UUTDWTOZAWFKFW-UHFFFAOYSA-N Synonym: methyl orotate,orotic acid methyl ester,methyl 2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate,unii-41c6ifg4mq,4-pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-2,6-dioxo-, methyl ester,6-carbomethyoxyuracil,41c6ifg4mq,methyl 2,6-dihydroxypyrimidine-4-carboxylate,methyl 2,6-dihydroxy-4-pyrimidinecarboxylate,methyl 2,6-dioxo-1,3-dihydropyrimidine-4-carboxylate PubChem CID: 80257 IUPAC Name: methyl 2,4-dioxo-1H-pyrimidine-6-carboxylate SMILES: COC(=O)C1=CC(=O)NC(=O)N1
1,2-Dimethyl-5-nitroimidazole, 98%
CAS: 551-92-8 Molecular Formula: C5H7N3O2 Molecular Weight (g/mol): 141.13 MDL Number: MFCD00047046 InChI Key: IBXPYPUJPLLOIN-UHFFFAOYSA-N Synonym: dimetridazole,1,2-dimethyl-5-nitro-1h-imidazole,dimetridazol,emtrylvet,emtrymix,emtryl,unizole soluble,1h-imidazole, 1,2-dimethyl-5-nitro,5-nitro-1,2-dimethylimidazole,dimetridazolo PubChem CID: 3090 IUPAC Name: 1,2-dimethyl-5-nitroimidazole SMILES: CN1C(C)=NC=C1[N+]([O-])=O
2-Bromo-6-(hydroxymethyl)pyridine, 96%
CAS: 33674-96-3 Molecular Formula: C6H6BrNO Molecular Weight (g/mol): 188.02 MDL Number: MFCD04039884 InChI Key: XDDGKNRSCDEWBR-UHFFFAOYSA-N Synonym: 6-bromopyridin-2-yl methanol,2-bromo-6-pyridinemethanol,2-bromo-6-hydroxymethyl pyridine,6-bromo-2-hydroxymethyl pyridine,2-pyridinemethanol, 6-bromo,6-bromopyridine-2-methanol,6-bromo-pyridine-2-yl methanol,6-bromo-2-pyridinemethanol,6-bromo-pyridin-2-yl-methanol,6-bromo-pyridin-2-yl methanol PubChem CID: 3517811 IUPAC Name: (6-bromopyridin-2-yl)methanol SMILES: OCC1=CC=CC(Br)=N1
N,N'-Di-BOC-1H-pyrazole-1-carboxamidine, 98%
CAS: 152120-54-2 Molecular Formula: C14H22N4O4 Molecular Weight (g/mol): 310.35 InChI Key: QFNFDHNZVTWZED-UHFFFAOYSA-N Synonym: n,n'-di-boc-1h-pyrazole-1-carboxamidine,bis-boc-pyrazolocarboxamidine,pyrazol boc 2,n,n-bis-boc-1-guanylpyrazole,n,n'-bis-boc-1-guanylpyrazol,n,n'-bis-boc-1-guanylpyrazole,n,n'-bisboc-pyrazole-1-carboximidamide,tert-butyl tert-butoxycarbonyl amino 1h-pyrazol-1-yl methylene carbamate,tert-butyl boc-amino 1h-pyrazol-1-yl methylene carbamate,1-n,n'-di-boc amidino pyrazole PubChem CID: 6383521 IUPAC Name: tert-butyl (NZ)-N-[[(2-methylpropan-2-yl)oxycarbonylamino]-pyrazol-1-ylmethylidene]carbamate SMILES: CC(C)(C)OC(=O)NC(=NC(=O)OC(C)(C)C)N1C=CC=N1
4-Ethynylpyridine hydrochloride, 97%
CAS: 352530-29-1 Molecular Formula: C7H5N·ClH Molecular Weight (g/mol): 139.58 MDL Number: MFCD03093912 InChI Key: KFBZWZGIZHLUBX-UHFFFAOYSA-N Synonym: 4-ethynylpyridine hydrochloride,4-ethynylpyridine hcl,pyridine, 4-ethynyl-, hydrochloride,4-ethynylpyridinehychloride salt,4-ethynylpyridinehydrochloride,pubchem19527,4-pyridylacetylene hydrochloride,4-ethynyl pyridine hydrochloride,4-ethynyl-pyridine hydrochloride,4-ethynylpyridine hydrochloride 1:1 PubChem CID: 16216931 IUPAC Name: 4-ethynylpyridine;hydrochloride SMILES: C#CC1=CC=NC=C1.Cl