Organoheterocyclic compounds
5-Amino-3-methyl-1-phenylpyrazole, 97%
CAS: 1131-18-6 Molecular Formula: C10H11N3 Molecular Weight (g/mol): 173.21 InChI Key: FMKMKBLHMONXJM-UHFFFAOYSA-N Synonym: 3-methyl-1-phenyl-1h-pyrazol-5-amine,5-amino-3-methyl-1-phenylpyrazole,1h-pyrazol-5-amine, 3-methyl-1-phenyl,1-phenyl-3-methyl-5-aminopyrazole,3-methyl-1-phenylpyrazol-5-ylamine,5-methyl-2-phenyl-2h-pyrazol-3-ylamine,1-phenyl-3-methyl-5-amino pyrazole,unii-x6087geb2p,pyrazole, 5-amino-3-methyl-1-phenyl,1h-pyrazole-5-amine, 3-methyl-1-phenyl PubChem CID: 70801 IUPAC Name: 5-methyl-2-phenylpyrazol-3-amine SMILES: CC1=NN(C(=C1)N)C2=CC=CC=C2
5-Amino-3-(4-methylphenyl)pyrazole, 97%, Thermo Scientific™
CAS: 78597-54-3 Molecular Formula: C10H11N3 Molecular Weight (g/mol): 173.22 InChI Key: GVPFRVKDBZWRCZ-UHFFFAOYSA-N Synonym: 5-p-tolyl-1h-pyrazol-3-amine,3-4-methylphenyl-1h-pyrazol-5-amine,5-p-tolyl-2h-pyrazol-3-ylamine,5-amino-3-4-methylphenyl pyrazole,3-amino-5-4-methylphenyl-1h-pyrazole,3-amino-5-p-tolylpyrazole,5-4-methylphenyl-1h-pyrazol-3-amine,3-p-tolyl-1h-pyrazol-5-amine,1h-pyrazol-3-amine, 5-4-methylphenyl,5-4-methylphenyl-2h-pyrazol-3-amine PubChem CID: 736768 IUPAC Name: 5-(4-methylphenyl)-1H-pyrazol-3-amine SMILES: CC1=CC=C(C=C1)C2=CC(=NN2)N
2-Methylpyrimidine, 98%
CAS: 5053-43-0 Molecular Formula: C5H6N2 Molecular Weight (g/mol): 94.11 InChI Key: LNJMHEJAYSYZKK-UHFFFAOYSA-N Synonym: pyrimidine, 2-methyl,2-methyl pyrimidine,pubchem21974,2-methyl-1,3-diazine,2-methylpyrimidine,pyrimidine, 2-methyl-6ci,7ci,8ci,9ci PubChem CID: 78748 IUPAC Name: 2-methylpyrimidine SMILES: CC1=NC=CC=N1
3-Nitro-1H-pyrazole, 97%, Thermo Scientific Chemicals
CAS: 26621-44-3 Molecular Formula: C3H3N3O2 Molecular Weight (g/mol): 113.08 MDL Number: MFCD00159621,MFCD00238787 InChI Key: MZRUFMBFIKGOAL-UHFFFAOYSA-N Synonym: 3-nitro-1h-pyrazole,3-nitropyrazole,1h-pyrazole, 3-nitro,3-nitro-2h-pyrazole,nitropyrazole,pyrazole, 3-nitro,5-nitro-1h-pyrazol,djw 94,djw-94,5-nitropyrazole PubChem CID: 123419 IUPAC Name: 5-nitro-1H-pyrazole SMILES: [O-][N+](=O)C1=CC=NN1
5-Cyclopropyl-1,2,4-oxadiazol-3-amine, 97%, Thermo Scientific™
CAS: 868696-42-8 Molecular Formula: C5H7N3O Molecular Weight (g/mol): 125.13 InChI Key: OHSZRALIDGBNES-UHFFFAOYSA-N Synonym: 1,2,4-oxadiazol-3-amine, 5-cyclopropyl PubChem CID: 51072255 IUPAC Name: 5-cyclopropyl-1,2,4-oxadiazol-3-amine SMILES: C1CC1C2=NC(=NO2)N
2-Hydroxyquinoxaline, 98%, Thermo Scientific™
CAS: 1196-57-2 Molecular Formula: C8H6N2O Molecular Weight (g/mol): 146.15 MDL Number: MFCD00006722 InChI Key: FFRYUAVNPBUEIC-UHFFFAOYSA-N Synonym: 2-hydroxyquinoxaline,quinoxalin-2-ol,2-quinoxalinol,2 1h-quinoxalinone,quinoxalin-2 1h-one,quinoxalin-2-one,2-quinoxalinone,3-quinoxalinone,2-quinoxalone,1,2-dihydroquinoxalin-2-one PubChem CID: 14526 ChEBI: CHEBI:38890 IUPAC Name: 1H-quinoxalin-2-one SMILES: O=C1NC2=CC=CC=C2N=C1
3-Fluoroazetidine hydrochloride, 95%
CAS: 617718-46-4 Molecular Formula: C3H6FN·HCl Molecular Weight (g/mol): 111.55 InChI Key: PXFUWRWCKSLCLS-UHFFFAOYSA-N Synonym: 3-fluoroazetidine hydrochloride,3-fluoroazetidine hcl,3-fluoroazetidinehydrochloride,azetidine, 3-fluoro-, hydrochloride,3-fluoroazetane hydrochloride,acmc-20dlgf,c3h6fn.hcl,ksc941o8n,3-fluoro-azetidine hydrochloride,3-fluoroazetidine hcl salt PubChem CID: 10125054 IUPAC Name: 3-fluoroazetidine;hydrochloride SMILES: C1C(CN1)F.Cl
Nalidixic acid sodium salt
CAS: 5-8-3374 Molecular Formula: C12H11N2NaO3 Molecular Weight (g/mol): 254.22 InChI Key: ROKRAUFZFDQWLE-UHFFFAOYSA-M IUPAC Name: sodium 1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylate SMILES: [Na+].CCN1C=C(C([O-])=O)C(=O)C2=CC=C(C)N=C12
Rivaroxaban, 98%
CAS: 366789-02-8 Molecular Formula: C19H18ClN3O5S Molecular Weight (g/mol): 435.88 MDL Number: MFCD11974010 InChI Key: KGFYHTZWPPHNLQ-UHFFFAOYNA-N Synonym: rivaroxaban,xarelto,s-5-chloro-n-2-oxo-3-4-3-oxomorpholino phenyl oxazolidin-5-yl methyl thiophene-2-carboxamide,unii-9ndf7jz4m3,xarelto tn,9ndf7jz4m3,5-chloro-n-5s-2-oxo-3-4-3-oxomorpholin-4-yl phenyl-1,3-oxazolidin-5-yl methyl thiophene-2-carboxamide,2-thiophenecarboxamide, 5-chloro-n-5s-2-oxo-3-4-3-oxo-4-morpholinyl phenyl-5-oxazolidinyl methyl,5-chloro-n-5s-2-oxo-3-4-3-oxo-4-morpholinyl phenyl-5-oxazolidinyl methyl-2-thiophenecarboxamide PubChem CID: 9875401 ChEBI: CHEBI:68579 IUPAC Name: 5-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide SMILES: ClC1=CC=C(S1)C(=O)NCC1CN(C(=O)O1)C1=CC=C(C=C1)N1CCOCC1=O
Thermo Scientific Chemicals Atorvastatin calcium trihydrate
CAS: 344423-98-9 Molecular Formula: C66H74CaF2N4O13 Molecular Weight (g/mol): 1209.41 InChI Key: SHZPNDRIDUBNMH-NIJVSVLQSA-L IUPAC Name: calcium bis((3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-(propan-2-yl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoate) trihydrate SMILES: O.O.O.[Ca++].CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(=C(N1CC[C@@H](O)C[C@@H](O)CC([O-])=O)C1=CC=C(F)C=C1)C1=CC=CC=C1.CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(=C(N1CC[C@@H](O)C[C@@H](O)CC([O-])=O)C1=CC=C(F)C=C1)C1=CC=CC=C1
1H-Indazole-6-carboxylic acid, 97%
CAS: 704-91-6 Molecular Formula: C8H6N2O2 Molecular Weight (g/mol): 162.15 MDL Number: MFCD06804571 InChI Key: DNCVTVVLMRHJCJ-UHFFFAOYSA-N Synonym: indazole-6-carboxylic acid,1h-indazole-6-carboxylicacid,6-carboxyindazole,6-carboxy-1h-indazole,6-indazolecarboxylic acid,ksc376q7p,1h-indazole-6-carboxylic acid,6-1h indazole carboxylic acid PubChem CID: 16227938 IUPAC Name: 1H-indazole-6-carboxylic acid SMILES: OC(=O)C1=CC=C2C=NNC2=C1
4,7-Phenanthroline, 98%
CAS: 230-07-9 Molecular Formula: C12H8N2 Molecular Weight (g/mol): 180.21 MDL Number: MFCD00004987 InChI Key: DATYUTWESAKQQM-UHFFFAOYSA-N Synonym: 4,7 phenanthroline,pyridino 3,2-f quinoline,acmc-1conx,4,7-phenanthroline,bidd:gt0447,chembl81429 PubChem CID: 67472 ChEBI: CHEBI:36419 IUPAC Name: 4,7-phenanthroline SMILES: C1=CC2=C(C=CC3=C2C=CC=N3)N=C1
2-chloropyrimidine-5-carboxylic acid, 97%
CAS: 374068-01-6 Molecular Formula: C5H3ClN2O2 Molecular Weight (g/mol): 158.54 MDL Number: MFCD06739036 InChI Key: DUCXUPKLVVSJKA-UHFFFAOYSA-N Synonym: 2-chloro-pyrimidine-5-carboxylic acid,2-chloro-5-carboxypyrimidine,5-carboxy-2-chloropyrimidine,5-pyrimidinecarboxylicacid, 2-chloro,2-chloro-5-pyrimidinecarboxylic acid,5-pyrimidinecarboxylic acid, 2-chloro,2-chloropyrimidine-5-carboxylicacid,acmc-1aig3,2-chloropyrimidine 5-carboxylic acid,2-chloro-5-pyrimidine carboxylic acid PubChem CID: 11094906 IUPAC Name: 2-chloropyrimidine-5-carboxylic acid SMILES: OC(=O)C1=CN=C(Cl)N=C1
2-Methyl-2H-indazole-6-boronic acid, 97%
CAS: 1001907-57-8 Molecular Formula: C8H9BN2O2 Molecular Weight (g/mol): 175.98 MDL Number: MFCD09870057 InChI Key: JADBVQWCMHPPQA-UHFFFAOYSA-N Synonym: 2-methyl-2h-indazole-6-boronic acid,2-methyl-2h-indazol-6-yl boronic acid,2-methylindazole-6-boronic acid,6-borono-2-methyl-2h-indazole,6-boronic acid-2-methyl-2h-indazole,boronicacid, b-2-methyl-2h-indazol-6-yl,b-2-methyl-2h-indazol-6-yl-boronic acid,boronic acid, b-2-methyl-2h-indazol-6-yl,acmc-2097na,boron-mol bm794 PubChem CID: 44630579 IUPAC Name: (2-methylindazol-6-yl)boronic acid SMILES: CN1C=C2C=CC(=CC2=N1)B(O)O
3-Quinolineboronic acid pinacol ester, 97%
CAS: 171364-85-5 Molecular Formula: C15H18BNO2 Molecular Weight (g/mol): 255.12 MDL Number: MFCD05155218 InChI Key: ARRJAONCYUAPJR-UHFFFAOYSA-N Synonym: 3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl quinoline,quinoline-3-boronic acid pinacol ester,3-quinolineboronic acid pinacol ester,quinoline-3-boronic acid pinacolate,3-tetramethyl-1,3,2-dioxaborolan-2-yl quinoline,quinoline-3-boronic acid, pinacol ester,quinoline, 3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl,pubchem1882,quinoline-3-boronic acidpinacolate,quinoline-3-boronicacidpinacolester PubChem CID: 10848590 IUPAC Name: 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline SMILES: CC1(C)OB(OC1(C)C)C1=CC2=CC=CC=C2N=C1