Organoheterocyclic compounds
2-Chloro-4-fluoropyridine, 97%
CAS: 34941-91-8 Molecular Formula: C5H3ClFN Molecular Weight (g/mol): 131.54 MDL Number: MFCD04039345 InChI Key: FGSAQRJRWCZLOB-UHFFFAOYSA-N Synonym: pyridine, 2-chloro-4-fluoro,2-chloro-4-fluoro pyridine,2-chloro-4-fluoro-pyridine,pubchem6180,acmc-1aft7,2-chlro-4-fluoroxypyridine,ksc222e0n,pyrimidine, 4-chloro-6-fluoro,abbypharma ap-14-5731 PubChem CID: 2782792 IUPAC Name: 2-chloro-4-fluoropyridine SMILES: C1=CN=C(C=C1F)Cl
Thermo Scientific Chemicals Sulbactam
CAS: 68373-14-8 Molecular Formula: C8H11NO5S Molecular Weight (g/mol): 233.24 InChI Key: FKENQMMABCRJMK-RITPCOANSA-N Synonym: sulbactam,sulbactam acid,penicillanic acid sulfone,sulbactamum,betamaze,2s,5r-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo 3.2.0 heptane-2-carboxylic acid 4,4-dioxide,penicillanic acid 1,1-dioxide,unii-s4tf6i2330,penicillanic acid dioxide,chembl403 PubChem CID: 130313 ChEBI: CHEBI:9321 IUPAC Name: (2S,5R)-3,3-dimethyl-4,4,7-trioxo-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid SMILES: CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O
Thermo Scientific Chemicals 9-Hydroxyrisperidone, 98%
CAS: 144598-75-4 Molecular Formula: C23H27FN4O3 Molecular Weight (g/mol): 426.48 InChI Key: PMXMIIMHBWHSKN-UHFFFAOYSA-N Synonym: paliperidone,9-hydroxyrisperidone,invega,9-oh-risperidone,invega sustenna,xeplion,palliperidone,3-2-4-6-fluoro-1,2-benzisoxazol-3-yl-1-piperidinyl ethyl-6,7,8,9-tetrahydro-9-hydroxy-2-methyl-4h-pyrido 1,2-a pyrimidin-4-one,chembl1621,3-2-4-6-fluorobenzo d isoxazol-3-yl piperidin-1-yl ethyl-9-hydroxy-2-methyl-6,7,8,9-tetrahydro-4h-pyrido 1,2-a pyrimidin-4-one PubChem CID: 115237 ChEBI: CHEBI:83804 IUPAC Name: 3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one SMILES: CC1=C(C(=O)N2CCCC(C2=N1)O)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)F
Pantoprazole sodium salt hydrate
CAS: 718635-09-7 Molecular Formula: C16H14F2N3NaO4S Molecular Weight (g/mol): 405.35 MDL Number: MFCD08704580 InChI Key: YNWDKZIIWCEDEE-UHFFFAOYNA-N Synonym: pantoprazole sodium,pantoprazole sodium hydrate,pantozol hydrate,protonix hydrate,c16h14f2n3nao4s.h2o,sodium pantoprazole 1-hydrate,pantoprazole sodium hydrate hplc,5-difluoromethoxy-2-3,4-dimethoxypyridin-2-yl methanesulfinyl-1-sodio-1,3-benzodiazole hydrate,5-difluoromethoxy-2-3,4-dimethoxy-2-pyridinyl methyl sulfinyl-1h-benzimidazole sodium salt hydrate PubChem CID: 23684923 IUPAC Name: sodium;5-(difluoromethoxy)-2-[(3,4-dimethoxypyridin-2-yl)methylsulfinyl]benzimidazol-1-ide;hydrate SMILES: [Na+].COC1=C(OC)C(CS(=O)C2=NC3=CC(OC(F)F)=CC=C3[N-]2)=NC=C1
Levetiracetam
CAS: 102767-28-2 Molecular Formula: C8H14N2O2 Molecular Weight (g/mol): 170.21 MDL Number: MFCD03265610 InChI Key: HPHUVLMMVZITSG-ZCFIWIBFSA-N Synonym: levetiracetam,keppra,s-2-2-oxopyrrolidin-1-yl butanamide,keppra xr,2s-2-2-oxopyrrolidin-1-yl butanamide,levetiracetamum,ucb-l 059,ucb l059,levetiractam,levroxa PubChem CID: 5284583 ChEBI: CHEBI:6437 IUPAC Name: (2R)-2-(2-oxopyrrolidin-1-yl)butanamide SMILES: CC[C@@H](N1CCCC1=O)C(N)=O
5-Cyano-3-pyridinylboronic acid, 97%
CAS: 497147-93-0 Molecular Formula: C6H5BN2O2 Molecular Weight (g/mol): 147.93 MDL Number: MFCD07374882 InChI Key: CYEXXDYQJPRMIQ-UHFFFAOYSA-N Synonym: 5-cyano-3-pyridinylboronic acid,5-cyano-3-pyridinyl boronic acid,5-cyanopyridine-3-boronic acid,5-cyanopyridin-3-yl boronic acid,3-borono-5-cyanopyridine,3-cyanopyridine-5-boronic acid,boronic acid, 5-cyano-3-pyridinyl,5-cyanopyridin-3-yl-3-boronic acid,boronic acid,b-5-cyano-3-pyridinyl,5-cyanopyridin-3-boronicacid PubChem CID: 45079576 IUPAC Name: (5-cyanopyridin-3-yl)boronic acid SMILES: OB(O)C1=CC(=CN=C1)C#N
5-Iodo-1H-indazole, 95%
CAS: 55919-82-9 Molecular Formula: C7H5IN2 Molecular Weight (g/mol): 244.03 MDL Number: MFCD07781642 InChI Key: CGCHCLICSHIAAM-UHFFFAOYSA-N Synonym: 5-iodoindazole,1h-indazole, 5-iodo,5-iodo 1h indazole,5-iodanyl-1h-indazole,5-iodio-1h-indazole,pubchem20575,d07ovy,indazole, 5-iodo,5-iodo-1h-indazole PubChem CID: 21894739 IUPAC Name: 5-iodo-1H-indazole SMILES: C1=CC2=C(C=C1I)C=NN2
2-Aminothiazole-4-carboxylic acid, 97%
CAS: 40283-41-8 Molecular Formula: C4H4N2O2S Molecular Weight (g/mol): 144.15 MDL Number: MFCD00859429 InChI Key: FCLDUALXSYSMFB-UHFFFAOYSA-N Synonym: 2-aminothiazole-4-carboxylic acid,2-amino-thiazole-4-carboxylic acid,2-amino-4-thiazolecarboxylic acid,2-aminothiazole-4-formic acid,4-thiazolecarboxylic acid, 2-amino,2-aminothiazole-4-carboxylicacid,pubchem8903,acmc-209jco,2-aminothiazole 4-carboxylic,2-amino-4-carboxythiazole PubChem CID: 1501882 IUPAC Name: 2-amino-1,3-thiazole-4-carboxylic acid SMILES: C1=C(N=C(S1)N)C(=O)O
6-Bromonicotinic acid, 96%
CAS: 6311-35-9 Molecular Formula: C6H4BrNO2 Molecular Weight (g/mol): 202.01 MDL Number: MFCD01927100 InChI Key: JDJBRMNTXORYEN-UHFFFAOYSA-N Synonym: 6-bromonicotinic acid,6-bromo nicotinic acid,2-bromo-5-pyridinecarboxylic acid,2-bromopyridine-5-carboxylic acid,6-bromo-3-pyridine carboxylic acid,6-bromonicotinicacid,6-bromo-nicotinic acid,6-bromo-3-pyridinecarboxylic acid,2-bromo-5-pyridine carboxylic acid,3-pyridinecarboxylic acid, 6-bromo PubChem CID: 238932 IUPAC Name: 6-bromopyridine-3-carboxylic acid SMILES: OC(=O)C1=CC=C(Br)N=C1
Quinoxaline-6-boronic acid pinacol ester, 97%, Thermo Scientific™
CAS: 1167418-13-4 Molecular Formula: C14H17BN2O2 Molecular Weight (g/mol): 256.11 MDL Number: MFCD11054040 InChI Key: ZYWICCYXTGRUNM-UHFFFAOYSA-N Synonym: 6-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl quinoxaline,quinoxaline-6-boronic acid pinacol ester,6-tetramethyl-1,3,2-dioxaborolan-2-yl quinoxaline,quinoxaline-6-boronic acid, pinacol ester,6-quinoxaline boronic acid pinacol ester,quinoxalin-6-ylboronic acid pinacol ester,quinoxaline, 6-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl PubChem CID: 44118298 IUPAC Name: 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxaline SMILES: CC1(C)OB(OC1(C)C)C1=CC2=NC=CN=C2C=C1
3-Fluoro-4-iodopyridine, 97%, Thermo Scientific Chemicals
CAS: 22282-75-3 Molecular Formula: C5H3FIN Molecular Weight (g/mol): 222.98 InChI Key: MSLUTDVOKZOXTA-UHFFFAOYSA-N Synonym: 3-fluoro-4-iodo-pyridine,4-iodo-3-fluoropyridine,pyridine, 3-fluoro-4-iodo,pubchem9249,acmc-1ccsk,pyridine,3-fluoro-4-iodo,3-fluoro-4-iodopyridine,3-fluoro-4-iodopyridine 1g PubChem CID: 10998636 IUPAC Name: 3-fluoro-4-iodopyridine SMILES: C1=CN=CC(=C1I)F
Isoquinoline-8-carboxylic acid, 97%, Thermo Scientific Chemicals
CAS: 61563-43-7 Molecular Formula: C10H7NO2 Molecular Weight (g/mol): 173.17 MDL Number: MFCD06738935 InChI Key: VMNZQPRIUSJCOH-UHFFFAOYSA-N Synonym: 8-isoquinolinecarboxylic acid,8-carboxyisoquinoline,8-isoquinolinecarboxylicacid,8-carboxy-2-azanaphthalene PubChem CID: 21393830 IUPAC Name: isoquinoline-8-carboxylic acid SMILES: C1=CC2=C(C=NC=C2)C(=C1)C(=O)O
3-Amino-5-iodo-1H-indazole, 95%, Thermo Scientific™
CAS: 88805-76-9 Molecular Formula: C7H6IN3 Molecular Weight (g/mol): 259.05 MDL Number: MFCD09261138 InChI Key: GBUVSJWTWOWRSL-UHFFFAOYSA-N Synonym: 3-amino-5-iodo-1h-indazole,1h-indazol-3-amine,5-iodo,1h-indazol-3-amine, 5-iodo,3-amino-5-iodoindazole,acmc-20f1u4,5-iodo-1h-indazole-3-ylamine PubChem CID: 20135868 IUPAC Name: 5-iodo-1H-indazol-3-amine SMILES: NC1=NNC2=CC=C(I)C=C12
1H-Indazole-4-boronic acid, 97%
CAS: 1023595-17-6 Molecular Formula: C7H7BN2O2 Molecular Weight (g/mol): 161.96 MDL Number: MFCD09878901 InChI Key: BGZZJZIZRARGGZ-UHFFFAOYSA-N Synonym: 1h-indazol-4-yl boronic acid,1h-indazole-4-boronic acid,indazole-4-boronic acid,1h-indazol-4-yl-4-boronic acid,1h-indazol-4-boronic acid,4-borono-1h-indazole,indazole-4-boronic acid, hcl,indazole-4-boronic acid, hydrochloride,1h-indazole-4-boronic acid hydrochloride,boronic acid, indazol-4-yl PubChem CID: 44118310 IUPAC Name: 1H-indazol-4-ylboronic acid SMILES: OB(O)C1=C2C=NNC2=CC=C1
Methyl 4-imidazolecarboxylate, 98%
CAS: 17325-26-7 Molecular Formula: C5H6N2O2 Molecular Weight (g/mol): 126.12 MDL Number: MFCD00216584 InChI Key: DVLGIQNHKLWSRU-UHFFFAOYSA-N Synonym: methyl 4-imidazolecarboxylate,methyl 1h-imidazole-4-carboxylate,methyl imidazole-4-carboxylate,1h-imidazole-4-carboxylic acid, methyl ester,1h-imidazole-5-carboxylic acid methyl ester,methyl-4-imidazolecarboxylate,1h-imidazole-4-carboxylic acid methyl ester,methyl 3h-imidazole-4-carboxylate,imidazole-4-carboxylic acid, methyl ester,zlchem 863 PubChem CID: 565661 IUPAC Name: methyl 1H-imidazole-5-carboxylate SMILES: COC(=O)C1=CN=CN1