Organoheterocyclic compounds
Quinoline-8-boronic acid pinacol ester, 95%
CAS: 190788-62-6 Molecular Formula: C15H18BNO2 Molecular Weight (g/mol): 255.124 MDL Number: MFCD05663894 InChI Key: RNTGVJBKPQOGPS-UHFFFAOYSA-N Synonym: quinoline-8-boronic acid pinacol ester,8-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl quinoline,8-quinolineboronic acid pinacol ester,8-tetramethyl-1,3,2-dioxaborolan-2-yl quinoline,amtb187,quinoline-8-boronic acid, pinacol ester PubChem CID: 17750280 IUPAC Name: 8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline SMILES: B1(OC(C(O1)(C)C)(C)C)C2=C3C(=CC=C2)C=CC=N3
5-Methyl-1H-benzotriazole, 98+%
CAS: 136-85-6 Molecular Formula: C7H7N3 Molecular Weight (g/mol): 133.15 MDL Number: MFCD00005702 InChI Key: LRUDIIUSNGCQKF-UHFFFAOYSA-N Synonym: 5-methyl-1h-benzotriazole,5-methylbenzotriazole,tolutriazole,5-tolyltriazole,1h-benzotriazole, 5-methyl,6-methylbenzotriazole,5-methyl-1h-benzo d 1,2,3 triazole,5-methyl-1,2,3-benzotriazole,6-methyl-1,2,3-benzotriazole,t56 bmnnj g1 PubChem CID: 8705 ChEBI: CHEBI:83455 IUPAC Name: 5-methyl-2H-benzotriazole SMILES: CC1=CC2=NNN=C2C=C1
2-Bromo-5-(trifluoromethyl)pyridine, 96%
CAS: 50488-42-1 Molecular Formula: C6H3BrF3N Molecular Weight (g/mol): 225.996 MDL Number: MFCD00153086 InChI Key: GSKMWMFOQQBVMI-UHFFFAOYSA-N Synonym: 2-bromo-5-trifluoromethyl pyridine,6-bromo-3-trifluoromethylpyridine,2-bromo-5-trifluoromethyl-pyridine,pyridine, 2-bromo-5-trifluoromethyl,5-trifluoromethyl-2-bromopyridine,2-brom-5-trifluormethyl pyridin,2-bromo-5-trilfuoromethylpyridine,pubchem3005 PubChem CID: 2736434 IUPAC Name: 2-bromo-5-(trifluoromethyl)pyridine SMILES: C1=CC(=NC=C1C(F)(F)F)Br
4-Methylthiazole-5-carboxylic acid, 97%, Thermo Scientific™
CAS: 20485-41-0 Molecular Formula: C5H5NO2S Molecular Weight (g/mol): 143.17 InChI Key: ZGWGSEUMABQEMD-UHFFFAOYSA-N Synonym: 4-methylthiazole-5-carboxylic acid,4-methyl-5-thiazolecarboxylic acid,5-thiazolecarboxylic acid, 4-methyl,4-methyl-thiazole-5-carboxylic acid,4-methyl-5-thiazole carboxylic acid,4-methylthiazole-5-carboxylicacid,pubchem8416,acmc-209far,4-27-00-04008 beilstein handbook reference,ksc201q4f PubChem CID: 209805 IUPAC Name: 4-methyl-1,3-thiazole-5-carboxylic acid SMILES: CC1=C(SC=N1)C(=O)O
Cytochrome C From Horse Heart MP Biomedicals
CAS: 9007-43-6 Molecular Formula: C40H48FeN6O6S4 Molecular Weight (g/mol): 892.94 MDL Number: MFCD00130890 InChI Key: UMUOLVQYJUIZKD-RHANTFMNSA-L Synonym: cytochrome c,3-7,12-bis 1-2-amino-3-methylamino-3-oxopropyl sulfanylethyl-18-2-carboxyethyl-3,8,13,17-tetramethylporphyrin-21,23-diid-2-yl propanoic acid; iron 2+ PubChem CID: 16057918 IUPAC Name: 3-[8,13-bis[1-[2-amino-3-(methylamino)-3-oxopropyl]sulfanylethyl]-18-(2-carboxyethyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoic acid;iron(2+) SMILES: CC(SC(=O)[C@@H](N)CS)C1=C(C)\C2=C\C3=C(C(C)SC(=O)[C@@H](N)CS)C(C)=C4CC5N=C(\C=C6/N([Fe++]N34)\C(=C/C1=N2)C(C)=C6CCC(O)=O)C(CCC(O)=O)=C5C
2-Thiophenemethanol, 99+%
CAS: 636-72-6 Molecular Formula: C5H6OS Molecular Weight (g/mol): 114.16 MDL Number: MFCD00005454 InChI Key: ZPHGMBGIFODUMF-UHFFFAOYSA-N Synonym: 2-thiophenemethanol,thiophene-2-methanol,2-thienylmethanol,2-hydroxymethylthiophene,2-thenyl alcohol,2-hydroxymethyl thiophene,thenyl alcohol,2-thiophenecarbinol,thien-2-yl methanol,thiophen-2-yl methanol PubChem CID: 69467 SMILES: OCC1=CC=CS1
2-Bromo-3-(chloromethyl)pyridine, 96%, Thermo Scientific™
CAS: 944906-87-0 Molecular Formula: C6H5BrClN Molecular Weight (g/mol): 206.467 MDL Number: MFCD10697618 InChI Key: OWRYEOOYOHXZJX-UHFFFAOYSA-N Synonym: 2-bromo-3-chloromethyl pyridine,pyridine, 2-bromo-3-chloromethyl,2-bromo-3-chloromethylene pyridine PubChem CID: 53416632 IUPAC Name: 2-bromo-3-(chloromethyl)pyridine SMILES: C1=CC(=C(N=C1)Br)CCl
1-Hexadecyl-3-methylimidazolium chloride monohydrate, 98%
CAS: 404001-62-3 Molecular Formula: C20H41ClN2O Molecular Weight (g/mol): 361.01 MDL Number: MFCD07773044 InChI Key: YCRGEJFZTMXLMF-UHFFFAOYSA-M Synonym: 1-hexadecyl-3-methyl-1h-imidazol-3-ium chloride hydrate,1-hexadecyl-3-methylimidazolium chloride monohydrate,1-hexadecyl-3-methyl-1h-imidazolium chloride hydrate PubChem CID: 60160661 IUPAC Name: 1-hexadecyl-3-methylimidazol-3-ium;chloride;hydrate SMILES: O.[Cl-].CCCCCCCCCCCCCCCCN1C=C[N+](C)=C1
Azetidine, 98%
CAS: 503-29-7 Molecular Formula: C3H7N Molecular Weight (g/mol): 57.096 MDL Number: MFCD00005165 InChI Key: HONIICLYMWZJFZ-UHFFFAOYSA-N Synonym: azacyclobutane,trimethylene imine,1,3-propylenimine,trimethylenimine,azetidin,unii-37s883xdwr,azetidine, l,polypropylene amine,azete, tetrahydro,azetidine PubChem CID: 10422 ChEBI: CHEBI:30968 IUPAC Name: azetidine SMILES: C1CNC1
Doxofylline
CAS: 69975-86-6 Molecular Formula: C11H14N4O4 Molecular Weight (g/mol): 266.257 MDL Number: MFCD00865218 InChI Key: HWXIGFIVGWUZAO-UHFFFAOYSA-N Synonym: doxofylline,doxophylline,ansimar,dioxyfilline,maxivent,ventax,unii-mpm23gmo7z,doxofylline usan:inn,doxofilina inn-spanish,doxofyllinum inn-latin PubChem CID: 50942 IUPAC Name: 7-(1,3-dioxolan-2-ylmethyl)-1,3-dimethylpurine-2,6-dione SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3OCCO3
1H-Tetrazole, 0.45M in acetonitrile
CAS: 288-94-8 Molecular Formula: CH2N4 Molecular Weight (g/mol): 70.055 MDL Number: MFCD00005247 InChI Key: KJUGUADJHNHALS-UHFFFAOYSA-N PubChem CID: 67519 ChEBI: CHEBI:33193 IUPAC Name: 2H-tetrazole SMILES: C1=NNN=N1
Paxilline, 97+%, Thermo Scientific Chemicals
CAS: 57186-25-1 Molecular Formula: C27H33NO4 Molecular Weight (g/mol): 435.564 MDL Number: MFCD00083464 InChI Key: ACNHBCIZLNNLRS-UBGQALKQSA-N Synonym: paxilline,unii-3t9u9z96l7,2h-1-benzopyrano 5',6':6,7 indeno 1,2-b indol-3 4bh-one, 5,6,6a,7,12,12b,12c,13,14,14a-decahydro-4b-hydroxy-2-1-hydroxy-1-methylethyl-12b,12c-dimethyl-, 2-alpha,4b-beta,6a-alpha,12b-beta,12c-alpha,14a-beta,2h-pyrano 2,3:5',6' benz 1',2':6,7 indeno 1,2-b indol-3 4bh-one, 5,6,6a,7,12,12b,12c,13,14,14a-decahydro-4b-hydroxy-2-1-hydroxy-1-methylethyl-12b,12c-dimethyl-, 2r,4bs,6as,12bs,12cr,14as,spectrum5_001975,paxilline, powder hplc,paxilline solution, 100 mug/ml in acetonitrile, analytical standard,2r,4bs,6as,12bs,12cr,14as-5,6,6a,7,12,12b,12c,13,14,14a-decahydro-4b-hydroxy-2-1-hydroxy-1-methylethyl-12b,12c-dimethyl-2h-pyrano 2,3:5',6' benz 1',2':6,7 indeno 1,2-b indol-3 4bh-one,ncgc00025342-07_c27h33no4_ 2r,4bs,6as,12bs,12cr,14as-4b-hydroxy-2-2-hydroxy-2-propanyl-12b,12c-dimethyl-5,6,6a,7,12,12b,12c,13,14,14a-decahydro-2h-chromeno 5',6':6,7 indeno 1,2-b indol-3 4bh-one PubChem CID: 105008 ChEBI: CHEBI:34907 SMILES: CC12CCC3C(=CC(=O)C(O3)C(C)(C)O)C1(CCC4C2(C5=C(C4)C6=CC=CC=C6N5)C)O
2-Phenylimidazole, 98%
CAS: 670-96-2 Molecular Formula: C9H8N2 Molecular Weight (g/mol): 144.18 MDL Number: MFCD00005186 InChI Key: ZCUJYXPAKHMBAZ-UHFFFAOYSA-N Synonym: 2-phenylimidazole,1h-imidazole, 2-phenyl,imidazole, 2-phenyl,2-phenyl imidazole,2-phenyl-1h-imidazol,unii-7r2590hm4l,chembl14189,phenyl imidazole,2-phenyl-imidazole,piy PubChem CID: 69591 IUPAC Name: 2-phenyl-1H-imidazole SMILES: N1C=CN=C1C1=CC=CC=C1
Methyl 3-cyanoindole-6-carboxylate, 97%
CAS: 1000576-51-1 Molecular Formula: C11H8N2O2 Molecular Weight (g/mol): 200.197 MDL Number: MFCD09878564 InChI Key: YBZVEPCMUWGFNW-UHFFFAOYSA-N Synonym: methyl 3-cyanoindole-6-carboxylate,3-cyano-1h-indole-6-carboxylic acid methyl ester,1h-indole-6-carboxylicacid, 3-cyano-, methyl ester,1h-indole-6-carboxylic acid, 3-cyano-, methyl ester PubChem CID: 37819073 IUPAC Name: methyl 3-cyano-1H-indole-6-carboxylate SMILES: COC(=O)C1=CC2=C(C=C1)C(=CN2)C#N
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