Organoheterocyclic compounds
1-Methyl-3-n-propylimidazolium iodide, 98%
CAS: 119171-18-5 Molecular Formula: C7H13IN2 Molecular Weight (g/mol): 252.10 MDL Number: MFCD08276385 InChI Key: IVCMUVGRRDWTDK-UHFFFAOYSA-M Synonym: 1-methyl-3-propylimidazolium iodide,1-propyl-3-methylimidazolium iodide,1-methyl-3-n-propylimidazolium iodide,1-methyl-3-propylimidazol-1-ium iodide,acmc-1c1fw,dsstox_cid_29063,dsstox_rid_83282,dsstox_gsid_49207,ksc491c6t,1-methyl-3-propylimidazoliumiodide PubChem CID: 12971008 IUPAC Name: 1-methyl-3-propylimidazol-1-ium;iodide SMILES: [I-].CCCN1C=C[N+](C)=C1
2,4-Diamino-6-hydroxypyrimidine, 96%
CAS: 56-06-4 Molecular Formula: C4H6N4O Molecular Weight (g/mol): 126.12 MDL Number: MFCD00006098 InChI Key: SWELIMKTDYHAOY-UHFFFAOYSA-N Synonym: 2,4-diamino-6-hydroxypyrimidine,2,6-diaminopyrimidin-4-ol,2,6-diaminopyrimidin-4 1h-one,2,6-diamino-4-pyrimidinol,2,6-diamino-4-hydroxypyrimidine,2,6-diaminopyrimidin-4 3h-one,2,6-diamino-4-pyrimidinone,4 1h-pyrimidinone, 2,6-diamino,2,4-diaminohypoxanthine,6-aminoisocytosine PubChem CID: 2944 IUPAC Name: 2,6-diamino-1H-pyrimidin-4-one SMILES: C1=C(NC(=NC1=O)N)N
Methyl 3-amino-2-thiophenecarboxylate, 99%
CAS: 22288-78-4 Molecular Formula: C6H7NO2S Molecular Weight (g/mol): 157.19 MDL Number: MFCD00009765 InChI Key: TWEQNZZOOFKOER-UHFFFAOYSA-N Synonym: methyl 3-amino-2-thiophenecarboxylate,3-aminothiophene-2-carboxylic acid methyl ester,2-thiophenecarboxylic acid, 3-amino-, methyl ester,3-amino-thiophene-2-carboxylic acid methyl ester,3-amino-2-thiophenecarboxylic acid methyl ester,methyl 3-amino-2-thiophene carboxylate,methyl-3-amino-thiophene-2-carboxylate,3-amino-2-carbomethoxythiophene,3-amino-2-methoxycarbonylthiophene,methyl3-aminothiophene-2-carboxylate PubChem CID: 89652 IUPAC Name: methyl 3-aminothiophene-2-carboxylate SMILES: COC(=O)C1=C(N)C=CS1
3-Pyrid-2-ylbenzaldehyde, ≥97%, Thermo Scientific™
CAS: 85553-53-3 Molecular Formula: C12H9NO Molecular Weight (g/mol): 183.21 MDL Number: MFCD02684103 InChI Key: SAPNGHSAYQXRPG-UHFFFAOYSA-N Synonym: 3-2-pyridyl benzaldehyde,3-pyridin-2-yl benzaldehyde,3-2-pyridinyl benzaldehyde,3-pyridin-2-yl-benzaldehyde,3-pyrid-2-ylbenzaldehyde,benzaldehyde, 3-2-pyridinyl,2-3-formylphenyl pyridine,acmc-209q6q,benzaldehyde,3-2-pyridinyl,5-2-pyridyl benzaldehyde PubChem CID: 3710039 IUPAC Name: 3-pyridin-2-ylbenzaldehyde SMILES: C1=CC=NC(=C1)C2=CC(=CC=C2)C=O
2-Benzylpyridine, 98+%
CAS: 101-82-6 Molecular Formula: C12H11N Molecular Weight (g/mol): 169.23 MDL Number: MFCD00006352 InChI Key: PCFUWBOSXMKGIP-UHFFFAOYSA-N Synonym: pyridine, 2-phenylmethyl,pyridine, 2-benzyl,2-phenylmethyl pyridine,unii-ew2n4v60mq,2-benzyl-pyridine,ew2n4v60mq,benzylpyridine,2-benzylpyridine,pyridine, phenylmethyl,5-20-07-00556 beilstein handbook reference PubChem CID: 7581 IUPAC Name: 2-benzylpyridine SMILES: C(C1=CC=CC=C1)C1=CC=CC=N1
5-Phenyltetrazole, 99%
CAS: 18039-42-4 Molecular Formula: C7H6N4 Molecular Weight (g/mol): 146.15 MDL Number: MFCD00022388 InChI Key: MARUHZGHZWCEQU-UHFFFAOYSA-N Synonym: 5-phenyl-1h-tetrazole,5-phenyltetrazole,1h-tetrazole, 5-phenyl,2h-tetrazole, 5-phenyl,phenyltetrazole,5-phenyl tetrazole,expandex 5pt,expandex ox 5pt,kempore 50xpt,5-phenyltetrazole van PubChem CID: 87425 IUPAC Name: 5-phenyl-2H-tetrazole SMILES: C1=CC=C(C=C1)C2=NNN=N2
4-(2-Trifluoromethyl-benzoimidazol-1-yl)-butyric acid, ≥97%, Thermo Scientific™
CAS: 876728-42-6 Molecular Formula: C12H11F3N2O2 Molecular Weight (g/mol): 272.227 MDL Number: MFCD07397470 InChI Key: HQUSGKZLJZMIHU-UHFFFAOYSA-N Synonym: 4-2-trifluoromethyl-1h-benzimidazol-1-yl butanoic acid,4-2-trifluoromethyl-benzoimidazol-1-yl-butyric acid,4-2-trifluoromethyl benzimidazolyl butanoic acid,1h-benzimidazole-1-butanoicacid, 2-trifluoromethyl,4-2-trifluoromethyl benzimidazol-1-yl butanoic acid,4-2-trifluoromethyl-1,3-benzodiazol-1-yl butanoic acid,4-2-trifluoromethyl-1h-benzimidazol-1-yl-butanoic acid,4-2-trifluoromethyl-1-benzimidazolyl butanoic acid,4-2-trifluoromethyl-1h-benzo d imidazol-1-yl butanoic acid PubChem CID: 6494232 IUPAC Name: 4-[2-(trifluoromethyl)benzimidazol-1-yl]butanoic acid SMILES: C1=CC=C2C(=C1)N=C(N2CCCC(=O)O)C(F)(F)F
5-Methyl-3-isoxazolecarbonitrile, 97%, Thermo Scientific™
CAS: 57351-99-2 Molecular Formula: C5H4N2O Molecular Weight (g/mol): 108.10 MDL Number: MFCD09064940 InChI Key: JTPIMYCMWLOEDD-UHFFFAOYSA-N PubChem CID: 24229456 IUPAC Name: 5-methyl-1,2-oxazole-3-carbonitrile SMILES: CC1=CC(=NO1)C#N
4-Methyl-1,3-thiazole-5-sulfonyl chloride, 97%
CAS: 953070-51-4 Molecular Formula: C4H4ClNO2S2 Molecular Weight (g/mol): 197.66 InChI Key: AWTJUYXVSWZCIK-UHFFFAOYSA-N Synonym: 4-methylthiazole-5-sulfonyl chloride,5-thiazolesulfonyl chloride, 4-methyl,chloro 4-methyl 1,3-thiazol-5-yl sulfone PubChem CID: 18537519 IUPAC Name: 4-methyl-1,3-thiazole-5-sulfonyl chloride SMILES: CC1=C(SC=N1)S(=O)(=O)Cl
(R)-(+)-Indoline-2-carboxylic acid, 97%, Thermo Scientific Chemicals
CAS: 98167-06-7 Molecular Formula: C9H9NO2 Molecular Weight (g/mol): 163.176 MDL Number: MFCD00792496 InChI Key: QNRXNRGSOJZINA-MRVPVSSYSA-N Synonym: r-indoline-2-carboxylic acid,r-+-indoline-2-carboxylic acid,2r-2,3-dihydro-1h-indole-2-carboxylic acid,r---indoline-2-carboxylic acid,2r-indoline-2-carboxylic acid,r-+-2,3-dihydroindole-2-carboxylic acid,r-2,3-dihydro-1h-indole-2-carboxylic acid,1h-indole-2-carboxylic acid, 2,3-dihydro-, 2r,pubchem20604 PubChem CID: 6928266 IUPAC Name: (2R)-2,3-dihydro-1H-indole-2-carboxylic acid SMILES: C1C(NC2=CC=CC=C21)C(=O)O
Isoxazole-5-carboxylic acid, 95%, Thermo Scientific™
CAS: 21169-71-1 Molecular Formula: C4H3NO3 Molecular Weight (g/mol): 113.072 MDL Number: MFCD00156151 InChI Key: MIIQJAUWHSUTIT-UHFFFAOYSA-N Synonym: isoxazole-5-carboxylic acid,5-isoxazolecarboxylic acid,isoxazole-5-carboxylicacid,5-carboxyisoxazole,pubchem8643,isoxazole-5-carboxylic,5-carboxy-1,2-oxazole,isoxazole 5-carboxylic acid,ksc207s2h PubChem CID: 2060599 IUPAC Name: 1,2-oxazole-5-carboxylic acid SMILES: C1=C(ON=C1)C(=O)O
Thiophene-2-sulfonyl chloride, 97%
CAS: 16629-19-9 Molecular Formula: C4H3ClO2S2 Molecular Weight (g/mol): 182.64 MDL Number: MFCD00005426 InChI Key: VNNLHYZDXIBHKZ-UHFFFAOYSA-N Synonym: 2-thiophenesulfonyl chloride,2-thienylsulfonyl chloride,thiophene-2-sulphonyl chloride,2-thiophenesulfonylchloride,2-thienylsulfonylchloride,2-thiophene sulfonyl chloride,chloro-2-thienylsulfone,pubchem7737,acmc-209dtw,thiophenesulfonyl chloride PubChem CID: 85518 IUPAC Name: thiophene-2-sulfonyl chloride SMILES: ClS(=O)(=O)C1=CC=CS1
5-Bromo-2-fluoropyridine, 98%
CAS: 766-11-0 Molecular Formula: C5H3BrFN Molecular Weight (g/mol): 175.988 MDL Number: MFCD01863742 InChI Key: MYUQKYGWKHTRPG-UHFFFAOYSA-N Synonym: 2-fluoro-5-bromopyridine,3-bromo-6-fluoropyridine,5-bromo-2-fluoro pyridine,5-bromo-2-fluoro-pyridine,pyridine, 5-bromo-2-fluoro,2-fluoro-5-bromo pyridine,pubchem3550,2-fluro-5-bromo-pyridine,acmc-209p4s,bromo-2-fluoropyridine, 5 PubChem CID: 2783168 IUPAC Name: 5-bromo-2-fluoropyridine SMILES: C1=CC(=NC=C1Br)F
2-Amino-3-ethyl-6-methylpyridine, 97%
CAS: 41995-31-7 Molecular Formula: C8H12N2 Molecular Weight (g/mol): 136.198 MDL Number: MFCD00130077 InChI Key: OQNDNGDJFBXUID-UHFFFAOYSA-N Synonym: 2-amino-3-ethyl-6-methylpyridine,3-ethyl-6-methyl-2-pyridinamine,3-ethyl-6-methyl-2-pyridylamine,acmc-1aoyl,2-pyridinamine,3-ethyl-6-methyl,3-ethyl-6-methyl pyridin-2-yl amine,3-ethyl-6-methyl-pyridin-2-ylamine PubChem CID: 3016311 IUPAC Name: 3-ethyl-6-methylpyridin-2-amine SMILES: CCC1=C(N=C(C=C1)C)N
Methyl orotate, 95%
CAS: 6153-44-2 Molecular Formula: C6H6N2O4 Molecular Weight (g/mol): 170.12 MDL Number: MFCD00010564 InChI Key: UUTDWTOZAWFKFW-UHFFFAOYSA-N Synonym: methyl orotate,orotic acid methyl ester,methyl 2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate,unii-41c6ifg4mq,4-pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-2,6-dioxo-, methyl ester,6-carbomethyoxyuracil,41c6ifg4mq,methyl 2,6-dihydroxypyrimidine-4-carboxylate,methyl 2,6-dihydroxy-4-pyrimidinecarboxylate,methyl 2,6-dioxo-1,3-dihydropyrimidine-4-carboxylate PubChem CID: 80257 IUPAC Name: methyl 2,4-dioxo-1H-pyrimidine-6-carboxylate SMILES: COC(=O)C1=CC(=O)NC(=O)N1