Organoheterocyclic compounds
3-(2-Oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid, 97%, Thermo Scientific™
CAS: 13610-59-8 Molecular Formula: C10H9NO4 Molecular Weight (g/mol): 207.185 MDL Number: MFCD00052166 InChI Key: BMLRDVCKJXMASM-UHFFFAOYSA-N Synonym: 3-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl propanoic acid,3-2-oxo-1,3-benzoxazol-3 2h-yl propanoic acid,3-2-oxobenzo d oxazol-3 2h-yl propanoic acid,3-2-oxo-benzooxazol-3-yl propionic acid,3-2-oxo-1,3-benzoxazol-3-yl propanoic acid,3 2h-benzoxazolepropanoic acid, 2-oxo,3-2-oxo-benzooxazol-3-yl-propionic acid,3 2h-benzoxazolepropanoicacid, 2-oxo,3-2-oxo-3-hydrobenzoxazol-3-yl propanoic acid,maybridge1_008314 PubChem CID: 720147 IUPAC Name: 3-(2-oxo-1,3-benzoxazol-3-yl)propanoic acid SMILES: C1=CC=C2C(=C1)N(C(=O)O2)CCC(=O)O
2-Bromothiazole-5-carboxaldehyde, 97%
CAS: 464192-28-7 Molecular Formula: C4H2BrNOS Molecular Weight (g/mol): 192.03 MDL Number: MFCD03788567 InChI Key: DJUWIZUEHXRECB-UHFFFAOYSA-N Synonym: 2-bromo-5-formylthiazole,2-bromothiazole-5-carbaldehyde,2-bromo-5-fomylthiazole,2-bromo-thiazole-5-carbaldehyde,5-thiazolecarboxaldehyde, 2-bromo,2-bromo-1,3-thiazole-5-carboxaldehyde,2-bromothiazole-5-carboxaldehyde,2-bromo-5-formyl-1,3-thiazole,pubchem21412,2-bromo-thiazole-5-carboxaldehyde PubChem CID: 2773259 IUPAC Name: 2-bromo-1,3-thiazole-5-carbaldehyde SMILES: BrC1=NC=C(S1)C=O
2-Nitropyridine, 97%
CAS: 15009-91-3 Molecular Formula: C5H4N2O2 Molecular Weight (g/mol): 124.10 MDL Number: MFCD00160414 InChI Key: HLTDBMHJSBSAOM-UHFFFAOYSA-N Synonym: pyridine, 2-nitro,nitropyridine,pyridine, nitro,2-nitro-pyridine,pyridine, 2-nitro-6ci, 7ci, 8ci, 9ci,nitro-pyridine,pyridine, 2-nitro-8ci 9ci,2-nitropyridine PubChem CID: 26998 IUPAC Name: 2-nitropyridine SMILES: [O-][N+](=O)C1=CC=CC=N1
4-Chloro-6,7-dimethoxyquinazoline, 98%
CAS: 13790-39-1 Molecular Formula: C10H9ClN2O2 Molecular Weight (g/mol): 224.64 MDL Number: MFCD01570172 InChI Key: LLLHRNQLGUOJHP-UHFFFAOYSA-N Synonym: 4-chloro-6,7-dimethoxy-quinazoline,quinazoline, 4-chloro-6,7-dimethoxy,4-cholro-6,7-dimethoxyquinazoline,6,7-dimethoxy-4-chloroquinazoline,zlchem 87,pubchem9672,acmc-1brd3,4-chloro-6,7dimethoxyquinazoline,4-chloro6,7-dimethoxyquinazoline,4chloro-6,7-dimethoxyquinazoline PubChem CID: 2769364 IUPAC Name: 4-chloro-6,7-dimethoxyquinazoline SMILES: COC1=C(OC)C=C2C(Cl)=NC=NC2=C1
(-)-Bicuculline methiodide, 98%
CAS: 40709-69-1 Molecular Formula: C21H20INO6 Molecular Weight (g/mol): 509.296 MDL Number: MFCD00078966 InChI Key: HKJKCPKPSSVUHY-GRTNUQQKSA-M Synonym: --bicuculline methiodide,bicuculline methiodide,1 s ,9 r---bicuculline methiodide,5s-5-6r-6,8-dihydro-8-oxofuro 3,4-e-1,3-benzodioxol-6-yl-5,6,7,8-tetrahydro-6,6-dimethyl-1,3-dioxolo 4,5-g isoquinolinium iodide,1,3-dioxolo 4,5-g isoquinolinium, 5-6r-6,8-dihydro-8-oxofuro 3,4-e-1,3-benzodioxol-6-yl-5,6,7,8-tetrahydro-6,6-dimethyl-, iodide, 5s,1,3-dioxolo 4,5-g isoquinolinium, 5-6,8-dihydro-8-oxofuro 3,4-e-1,3-benzodioxol-6-yl-5,6,7,8-tetrahydro-6,6-dimethyl-, iodide, r-r*,s*,opera_id_515,--bicucullinemethiodide,1 s ,9 r---bicuculline methiodide hpce,5r-5-6s-6,8-dihydro-8-oxofuro 3,4-e-1,3-benzodioxol-6-yl-5,6,7,8-tetrahydro-6,6-dimethyl-1,3-dioxolo 4,5-g isoquinolinium iodide PubChem CID: 104871 IUPAC Name: (6R)-6-[(5S)-6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]-6H-furo[3,4-g][1,3]benzodioxol-8-one;iodide SMILES: C[N+]1(CCC2=CC3=C(C=C2C1C4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3)C.[I-]
2-Amino-4,6-dichloropyrimidine-5-carboxaldehyde, 96%, Thermo Scientific Chemicals
CAS: 5604-46-6 Molecular Formula: C5H3Cl2N3O Molecular Weight (g/mol): 192.00 MDL Number: MFCD03001242 InChI Key: GOJUJUVQIVIZAV-UHFFFAOYSA-N Synonym: 2-amino-4,6-dichloro-5-formylpyrimidine,2-amino-4,6-dichloro-5-pyrimidinecarbaldehyde,2-amino-4,6-dichloro-5-formyl-pyrimidine,2-amino-4.6-dichloropyrimidine-5-carbaldehyde,2-amino-4,6-dichloro-pyrimidine-5-carbaldehyde,2-amino-4,6-dichloropyrimidine-5-carboxaldehyde,5-pyrimidinecarboxaldehyde, 2-amino-4,6-dichloro,2-amino,pubchem6979,acmc-209lqn PubChem CID: 265546 IUPAC Name: 2-amino-4,6-dichloropyrimidine-5-carbaldehyde SMILES: NC1=NC(Cl)=C(C=O)C(Cl)=N1
2-Piperidinoisonicotinic acid, 97%, Thermo Scientific™
CAS: 855153-75-2 Molecular Formula: C11H14N2O2 Molecular Weight (g/mol): 206.245 MDL Number: MFCD04115214 InChI Key: PYHYIVXTQSCHDX-UHFFFAOYSA-N Synonym: 2-piperidinoisonicotinic acid,2-piperidin-1-yl isonicotinic acid,2-piperidin-1-yl pyridine-4-carboxylic acid,2-piperidin-1-ylisonicotinic acid,2-piperidin-1-ylpyridin-4-ylcarboxylic acid,3,4,5,6-tetrahydro-2h-1,2' bipyridinyl-4'-carboxylic acid,4-pyridinecarboxylic acid, 2-1-piperidinyl,2-piperidylpyridine-4-carboxylic acid,2-piperidin-1-yl-isonicotinic acid,1-4-carboxypyridin-2-yl piperidine PubChem CID: 6484237 IUPAC Name: 2-piperidin-1-ylpyridine-4-carboxylic acid SMILES: C1CCN(CC1)C2=NC=CC(=C2)C(=O)O
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
3-Amino-5-hydroxy-1H-pyrazole, 98%
CAS: 6126-22-3 Molecular Formula: C3H5N3O Molecular Weight (g/mol): 99.093 MDL Number: MFCD00022384 InChI Key: QZBGOTVBHYKUDS-UHFFFAOYSA-N Synonym: 3-amino-5-hydroxypyrazole,3-amino-1h-pyrazol-5-ol,5-amino-1h-pyrazol-3-ol,5-amino-1h-pyrazol-3 2h-one,3-amino-1,2-dihydropyrazol-5-one,5-aminopyrazol-3-ol,5-amino-2h-pyrazol-3-ol,3-pyrazolin-5-one, 3-amino,5-amino-2,3-dihydro-1h-pyrazol-3-one,1h-pyrazol-5-ol, 3-amino PubChem CID: 96221 IUPAC Name: 5-amino-1,2-dihydropyrazol-3-one SMILES: C1=C(NNC1=O)N
(+/-)-Styrene oxide, 98+%
CAS: 96-09-3 Molecular Formula: C8H8O Molecular Weight (g/mol): 120.151 MDL Number: MFCD00005121 InChI Key: AWMVMTVKBNGEAK-UHFFFAOYSA-N Synonym: styrene oxide,phenyloxirane,1,2-epoxyethylbenzene,phenylethylene oxide,epoxystyrene,styrene epoxide,styryl oxide,oxirane, phenyl,1-phenyloxirane,phenethylene oxide PubChem CID: 7276 ChEBI: CHEBI:17907 IUPAC Name: 2-phenyloxirane SMILES: C1C(O1)C2=CC=CC=C2
Theophylline, Anhydrous, USP, 97-102%, Spectrum™ Chemical
CAS: 58-55-9 Molecular Formula: C7H8N4O2 Molecular Weight (g/mol): 180.17 InChI Key: ZFXYFBGIUFBOJW-UHFFFAOYSA-N IUPAC Name: 1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione SMILES: CN1C2=C(NC=N2)C(=O)N(C)C1=O
2-Benzothiazoleacetonitrile, 98%
CAS: 56278-50-3 Molecular Formula: C9H6N2S Molecular Weight (g/mol): 174.221 MDL Number: MFCD00051633 InChI Key: ZMZSYUSDGRJZNT-UHFFFAOYSA-N Synonym: benzothiazole-2-acetonitrile,2-benzo d thiazol-2-yl acetonitrile,2-benzothiazoleacetonitrile,2-1,3-benzothiazol-2-yl acetonitrile,benzothiazole-2-yl-acetonitrile,1,3-benzothiazol-2-ylacetonitrile,benzothiazol-2-ylacetonitrile,2-cyanomethyl-1,3-benzothiazole,2-benzothiazol-2-ylethanenitrile,2-cyanomethylbenzothiazole PubChem CID: 342465 IUPAC Name: 2-(1,3-benzothiazol-2-yl)acetonitrile SMILES: C1=CC=C2C(=C1)N=C(S2)CC#N
bis-Benzimide H-33342 trihydrochloride trihydrate, 98%
CAS: 23491-52-3 Molecular Formula: C27H28N6O Molecular Weight (g/mol): 452.562 MDL Number: MFCD00012679 InChI Key: PRDFBSVERLRRMY-UHFFFAOYSA-N Synonym: hoechst 33342,bisbenzimide,hoechst33342,unii-99kzs6cnzx,99kzs6cnzx,2'-4-ethoxyphenyl-5-4-methylpiperazin-1-yl-1h,1'h-2,5'-bibenzo d imidazole,2'-4-ethoxyphenyl-5-4-methyl-1-piperazinyl-2,5'-bi-benzimidazole,2'-4-ethoxyphenyl-5-4-methyl-1-piperazinyl-2,5'-bi-1h-benzimidazole,2'-4'-ethoxyphenyl-5-4-methylpiperazin-1-yl-2,5'-bis-1h-benzimidazole trihydrochloride trihydrate,2'-p-ethoxyphenyl-5-4-methyl-1-piperazinyl-2,5'-bibenzimidazole PubChem CID: 1464 ChEBI: CHEBI:51232 IUPAC Name: 2-(4-ethoxyphenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole SMILES: CCOC1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)C4=NC5=C(N4)C=C(C=C5)N6CCN(CC6)C
2-Thioxanthine, 98+%
CAS: 2487-40-3 Molecular Formula: C5H4N4OS Molecular Weight (g/mol): 168.174 MDL Number: MFCD00031505 InChI Key: XNHFAGRBSMMFKL-UHFFFAOYSA-N Synonym: 2-thioxanthine,6-hydroxy-2-mercaptopurine,2-mercapto-9h-purin-6-ol,2-thioxanthene,2-mercapto-6-hydroxypurine,2-thio-6-oxypurine,6-hydroxypurine-2-thiol,2-thioxo-2,3-dihydro-1h-purin-6 7h-one,xanthine, 2-thio,6h-purin-6-one, 1,2,3,7-tetrahydro-2-thioxo PubChem CID: 1268185 IUPAC Name: 2-sulfanylidene-3,7-dihydropurin-6-one SMILES: C1=NC2=C(N1)C(=O)NC(=S)N2
2-n-Pentylpyridine, 98%
CAS: 2294-76-0 Molecular Formula: C10H15N Molecular Weight (g/mol): 149.237 MDL Number: MFCD00051828 InChI Key: HSDXVAOHEOSTFZ-UHFFFAOYSA-N Synonym: 2-amylpyridine,pyridine, 2-pentyl,2-n-pentylpyridine,2-n-amylpyridine,pyridine, pentyl,unii-9n74l1ud11,2-amyl pyridine,2-pentyl pyridine,2-pentyl-pyridine,acmc-1cmx8 PubChem CID: 16800 IUPAC Name: 2-pentylpyridine SMILES: CCCCCC1=CC=CC=N1