Organoheterocyclic compounds
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
Risperidone, 100.7%, MP Biomedicals™
CAS: 106266-06-2 Molecular Formula: C23H27FN4O2 Molecular Weight (g/mol): 410.493 InChI Key: RAPZEAPATHNIPO-UHFFFAOYSA-N Synonym: risperidone,risperidal,risperdal,risperdal consta,rispolept,risperin,rispolin,sequinan,risperidona,risperidonum PubChem CID: 5073 ChEBI: CHEBI:8871 IUPAC Name: 3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one SMILES: CC1=C(C(=O)N2CCCCC2=N1)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)F
Furan-3-boronic acid, 97%
CAS: 55552-70-0 Molecular Formula: C4H5BO3 Molecular Weight (g/mol): 111.89 MDL Number: MFCD01319007 InChI Key: CYEFKCRAAGLNHW-UHFFFAOYSA-N Synonym: furan-3-boronic acid,3-furanboronic acid,3-furylboronic acid,furan-3-yl boronic acid,3-furanylboronic acid,furan-3-ylboranediol,3-furan boronic acid,furan-3-yl-3-boronic acid,furan-3-yl-boronic acid,boronic acid, 3-furanyl PubChem CID: 2734358 IUPAC Name: (furan-3-yl)boronic acid SMILES: OB(O)C1=COC=C1
Dibenzothiophene, 98%
CAS: 132-65-0 Molecular Formula: C12H8S Molecular Weight (g/mol): 184.26 MDL Number: MFCD00004969 InChI Key: IYYZUPMFVPLQIF-UHFFFAOYSA-N Synonym: diphenylene sulfide,dibenzo b,d thiophene,9-thiafluorene,alpha-thiafluorene,2,2'-biphenylylene sulfide,usan,unii-z3d4aj1r48,1,1'-biphenyl-2,2'-diyl sulfide,.alpha.-thiafluorene PubChem CID: 3023 ChEBI: CHEBI:23681 IUPAC Name: dibenzothiophene SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3S2
MilliporeSigma™ Propidium Iodide Solution, Calbiochem™,
CAS: 25535-16-4 Molecular Formula: C27H34I2N4 Molecular Weight (g/mol): 668.406 InChI Key: XJMOSONTPMZWPB-UHFFFAOYSA-M Synonym: propidium iodide,propidium diiodide,3,8-diamino-5-3-diethyl methyl ammonio propyl-6-phenylphenanthridin-5-ium iodide,unii-tp416o228t,3,8-diamino-5-3-diethylmethylammonio propyl-6-phenylphenanthridinium diiodide,3,8-diamino-5-3-diethylaminopropyl-6-phenylphenanthridinium iodide methiodide,phenanthridinium, 3,8-diamino-5-3-diethylmethylammonio propyl-6-phenyl-, diiodide PubChem CID: 104981 ChEBI: CHEBI:51240 IUPAC Name: 3-(3,8-diamino-6-phenylphenanthridin-5-ium-5-yl)propyl-diethyl-methylazanium;diiodide SMILES: CC[N+](C)(CC)CCC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N)N.[I-].[I-]
MBD, 98%
CAS: 33984-50-8 Molecular Formula: C14H12N4O4 Molecular Weight (g/mol): 300.26 InChI Key: IENONFJSMWUIQQ-UHFFFAOYSA-N Synonym: 4-4-methoxybenzylamino-7-nitrobenzofurazan,4-4-methoxybenzylamino-7-nitro-2,1,3-benzoxadiazole,mbd,7-p-methoxybenzylamino-4-nitrobenz-2-oxa-1,3-diazole,2,1,3-benzoxadiazol-4-amine, n-4-methoxyphenyl methyl-7-nitro,benzofurazan, 4-p-methoxybenzyl amino-7-nitro,n-4-methoxyphenyl methyl-7-nitro-2,1,3-benzoxadiazol-4-amine PubChem CID: 99555 IUPAC Name: N-[(4-methoxyphenyl)methyl]-4-nitro-2,1,3-benzoxadiazol-7-amine SMILES: COC1=CC=C(C=C1)CNC2=CC=C(C3=NON=C23)[N+](=O)[O-]
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
(1,3-Dioxan-2-ylethyl)magnesium bromide, 0.5M solution in THF, AcroSeal™
CAS: 78078-50-9 Molecular Formula: C6H11BrMgO2 Molecular Weight (g/mol): 219.36 MDL Number: MFCD00061518 InChI Key: JYNXRXBIEHSSLR-UHFFFAOYSA-M Synonym: 1,3-dioxan-2-ylethyl magnesium bromide,1,3-dioxan-2-ylethyl magnesium bromide solution,jynxrxbiehsslr-uhfffaoysa-m,1,3-dioxan-2-ylethyl magnesiumbromide,1,3-dioxane-2-ylethyl magnesium bromide,1,3-dioxan-2-ylethyl-magnesium bromide,2-2-bromomagnesio ethyl-1,3-dioxane,2-1,3-dioxan-2-yl ethylmagnesium bromide,2-1,3-dioxan-2-yl ethyl magnesium bromide,grignard reagent PubChem CID: 11031353 IUPAC Name: 2-[2-(bromomagnesio)ethyl]-1,3-dioxane SMILES: Br[Mg]CCC1OCCCO1
2-Pyrimidinecarbonitrile, 98%
CAS: 14080-23-0 Molecular Formula: C5H3N3 Molecular Weight (g/mol): 105.10 MDL Number: MFCD00160513 InChI Key: IIHQNAXFIODVDU-UHFFFAOYSA-N Synonym: 2-cyanopyrimidine,2-pyrimidinecarbonitrile,2-cyano-pyrimidine,2-cyano pyrimidine,cyanopyrimidine,provastatin,pyrimidinecarbonitrile,zlchem 283,pubchem7042,pyrimidin-2-carbonitrile PubChem CID: 2757979 IUPAC Name: pyrimidine-2-carbonitrile SMILES: N#CC1=NC=CC=N1
4-isocyanato-4-phenyltetrahydropyran, 97%, Thermo Scientific™
CAS: 941717-02-8 Molecular Formula: C12H13NO2 Molecular Weight (g/mol): 203.24 MDL Number: MFCD11506354 InChI Key: HKKGHFQAYVPNAN-UHFFFAOYSA-N Synonym: 4-isocyanato-4-phenyltetrahydropyran,4-isocyanato-4-phenyltetrahydro-2h-pyran,4-phenyltetrahydro-2h-pyran-4-yl isocyanate,4-phenyl-2h-3,4,5,6-tetrahydropyran-4-isocyanate PubChem CID: 33589534 IUPAC Name: 4-isocyanato-4-phenyloxane SMILES: O=C=NC1(CCOCC1)C1=CC=CC=C1
4-(Iodomethyl)tetrahydro-2H-pyran, 97%
CAS: 101691-94-5 Molecular Formula: C6H11IO Molecular Weight (g/mol): 226.05 InChI Key: MQLFSPBSNWUXSO-UHFFFAOYSA-N Synonym: 4-iodomethyl tetrahydro-2h-pyran,4-iodomethyl oxane,4-iodomethyl-tetrahydro-pyran,4-iodomethyl tetrahydropyran,2h-pyran, tetrahydro-4-iodomethyl,4-iodomethyl-tetrahydro-2h-pyran,2h-pyran,tetrahydro-4-iodomethyl,acmc-20a1ce,4-iodomethyltetrahydropyran,4-iodomethyl-tetrahydropyran PubChem CID: 2795507 IUPAC Name: 4-(iodomethyl)oxane SMILES: C1COCCC1CI
Cineole, Approx. 99%, MP Biomedicals™
CAS: 470-82-6 Molecular Formula: C10H18O Molecular Weight (g/mol): 154.25 MDL Number: MFCD00167977 InChI Key: WEEGYLXZBRQIMU-UHFFFAOYSA-N Synonym: eucalyptol,cineole,1,8-cineole,1,8-cineol,cajeputol,1,8-epoxy-p-menthane,eucalyptole,zineol,eucapur,terpan PubChem CID: 2758 IUPAC Name: 1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane SMILES: CC12CCC(CC1)C(C)(C)O2
4-(Bromomethyl)tetrahydropyran, 97%, Thermo Scientific™
CAS: 125552-89-8 Molecular Formula: C6H11BrO Molecular Weight (g/mol): 179.057 InChI Key: LMOOYAKLEOGKJR-UHFFFAOYSA-N Synonym: 4-bromomethyl tetrahydropyran,4-bromomethyltetrahydropyran,4-bromomethyl oxane,4-bromomethyl tetrahydro-2h-pyran,4-bromomethyl-tetrahydro-pyran,4-bromomethyl tetrahydro-pyran,4-bromomethyl-tetrahydro-2h-pyran,4-bromomethyl-tetrahydropyran,2h-pyran, 4-bromomethyl tetrahydro PubChem CID: 2773286 IUPAC Name: 4-(bromomethyl)oxane SMILES: C1COCCC1CBr
1-(2-Tetrahydropyranyl)-1H-pyrazole-5-boronic acid pinacol ester, 95%, Thermo Scientific Chemicals
CAS: 903550-26-5 Molecular Formula: C14H23BN2O3 Molecular Weight (g/mol): 278.159 MDL Number: MFCD09037501 InChI Key: ZZRFDLHBMBHJTI-UHFFFAOYSA-N Synonym: 1-tetrahydro-2h-pyran-2-yl-5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-pyrazole,1-2-tetrahydropyranyl-1h-pyrazole-5-boronic acid pinacol ester,1-tetrahydro-2h-pyran-2-yl-1h-pyrazole-5-boronic acid pinacol ester,1-tetrahydropyran-2-yl-1h-pyrazole-5-boronic acid pinacol ester,1-oxan-2-yl-5-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-pyrazole,1-oxan-2-yl-5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyrazole,1-oxan-2-yl-5-tetramethyl-1,3,2-dioxaborolan-2-yl pyrazole,1-oxan-2-yl-5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-pyrazole,1-tetrahydro-2h-pyran-2-yl-5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-y-1h-pyrazole,1-tetrahydropyran-2-yl-5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-pyrazole PubChem CID: 11587208 IUPAC Name: 1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=NN2C3CCCCO3
1-Tetrahydropyran-4-yl-1H-pyrazol-4-ylamine, 97%
CAS: 1190380-49-4 Molecular Formula: C8H13N3O Molecular Weight (g/mol): 167.21 MDL Number: MFCD11505007 InChI Key: GZZNBQLBGSVOOZ-UHFFFAOYSA-N Synonym: 1-tetrahydro-2h-pyran-4-yl-1h-pyrazol-4-amine,1-oxan-4-yl pyrazol-4-amine,1-oxan-4-yl-1h-pyrazol-4-amine,1h-pyrazol-4-amine, 1-tetrahydro-2h-pyran-4-yl,1-tetrahydropyran-4-yl pyrazol-4-amine,1-tetrahydro-pyran-4-yl-1h-pyrazol-4-ylamine,1-2h-3,4,5,6-tetrahydropyran-4-yl pyrazole-4-ylamine PubChem CID: 51063703 SMILES: NC1=CN(N=C1)C1CCOCC1