Organoheterocyclic compounds
3,5-Dimethylisoxazole-4-boronic acid, 97%
CAS: 16114-47-9 Molecular Formula: C5H8BNO3 Molecular Weight (g/mol): 140.933 MDL Number: MFCD02677945 InChI Key: DIIFZCPZIRQDIJ-UHFFFAOYSA-N Synonym: 3,5-dimethylisoxazole-4-boronic acid,3,5-dimethylisoxazol-4-yl boronic acid,3,5-dimethyl-4-isoxazolylboronic acid,3,5-dimethylisoxazol-4-ylboronic acid,3,5-dimethyl-1,2-oxazol-4-yl boronic acid,3,5-dimethylisoxazole-4-boronicacid,3,5-dimethyl-4-isoxazoleboronic acid,3,5-dimethylisoxazol-4-yl-4-boronic acid,3,5-dimethyl-isoxazole-4-boronic acid,dimethyl-1,2-oxazol-4-yl boronic acid PubChem CID: 2734346 IUPAC Name: (3,5-dimethyl-1,2-oxazol-4-yl)boronic acid SMILES: B(C1=C(ON=C1C)C)(O)O
1-Ethyl-3-methylimidazolium ethyl sulfate, 99%
CAS: 342573-75-5 Molecular Formula: C8H16N2O4S Molecular Weight (g/mol): 236.286 MDL Number: MFCD06798189 InChI Key: VRFOKYHDLYBVAL-UHFFFAOYSA-M Synonym: 1-ethyl-3-methylimidazolium ethyl sulfate,1-ethyl-3-methylimidazolium ethylsulfate,1-ethyl-3-methyl-1h-imidazol-3-ium ethyl sulfate,basionics™ lq 01,dsstox_cid_29130,dsstox_rid_83349,dsstox_gsid_49274,ksc221o0f,1h-imidazolium, 3-ethyl-1-methyl-, ethyl sulfate 1:1,1-ethyl-3-me-thylimidazolium ethylsulfate PubChem CID: 12095229 IUPAC Name: 1-ethyl-3-methylimidazol-3-ium;ethyl sulfate SMILES: CCN1C=C[N+](=C1)C.CCOS(=O)(=O)[O-]
1-Methylisoquinoline, 97%
CAS: 1721-93-3 Molecular Formula: C10H9N Molecular Weight (g/mol): 143.189 MDL Number: MFCD00006902 InChI Key: PBYMYAJONQZORL-UHFFFAOYSA-N Synonym: isoquinaldine,isoquinoline, 1-methyl,1-methyl-isoquinoline,unii-z96hox9rt9,isoquinoline, methyl,z96hox9rt9,methylisoquinoline,isoquinoline-3-carboxylicacid,1-methyl isoquinoline,pubchem17034 PubChem CID: 15592 IUPAC Name: 1-methylisoquinoline SMILES: CC1=NC=CC2=CC=CC=C12
4-Carboxybenzeneboronic acid pinacol ester, 97%, Thermo Scientific Chemicals
CAS: 180516-87-4 Molecular Formula: C13H17BO4 Molecular Weight (g/mol): 248.09 MDL Number: MFCD01863710 InChI Key: IYDKBQIEOBXLTP-UHFFFAOYSA-N Synonym: 4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzoic acid,4-carboxyphenylboronic acid pinacol ester,4-carboxylphenylboronic acid pinacol ester,4-carboxyphenylboronic acid, pinacol ester,4-carboxyphenylboronicacidpinacolester,4-carboxybenzeneboronic acid pinacol ester,4-carboxyphenylboronic acid pinacolate,4-tetramethyl-1,3,2-dioxaborolan-2-yl benzoic acid,4-carboxyphenylboronic acid,pinacol ester,4-carboxyphenyl boronic acid, pinacol ester PubChem CID: 2734621 IUPAC Name: 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid SMILES: CC1(C)OB(OC1(C)C)C1=CC=C(C=C1)C(O)=O
MilliporeSigma™ Imidazole, Molecular biology grade, OmniPur™, Calbiochem™,
CAS: 288-32-4 Molecular Formula: C3H4N2 Molecular Weight (g/mol): 68.08 MDL Number: MFCD00005183 InChI Key: RAXXELZNTBOGNW-UHFFFAOYSA-N Synonym: imidazole,glyoxaline,imidazol,iminazole,miazole,1,3-diazole,glyoxalin,imutex,1,3-diaza-2,4-cyclopentadiene,pyrro b monazole PubChem CID: 795 ChEBI: CHEBI:16069 IUPAC Name: 1H-imidazole SMILES: N1C=CN=C1
1-n-Butyl-3-methylimidazolium bromide, 99%
CAS: 85100-77-2 Molecular Formula: C8H15BrN2 Molecular Weight (g/mol): 219.126 MDL Number: MFCD03427611 InChI Key: KYCQOKLOSUBEJK-UHFFFAOYSA-M Synonym: 1-butyl-3-methylimidazolium bromide,3-butyl-1-methyl-1h-imidazol-3-ium bromide,bmimbr,1-n-butyl-3-methylimidazolium bromide,1-butyl-3-methyl-1h-imidazol-3-ium bromide,bmim br,c4mim bromide,ksc491c7d,1-butyl-3-methylimidazoliumbromide PubChem CID: 2734236 IUPAC Name: 1-butyl-3-methylimidazol-3-ium;bromide SMILES: CCCCN1C=C[N+](=C1)C.[Br-]
Thermo Scientific Chemicals 3-Methyladenine, 90+%
CAS: 5142-23-4 Molecular Formula: C6H7N5 Molecular Weight (g/mol): 149.16 MDL Number: MFCD00010531 InChI Key: FSASIHFSFGAIJM-UHFFFAOYSA-N Synonym: 3-methyladenine,3-methyl-3h-purin-6-amine,6-amino-3-methylpurine,3-ma,3h-purin-6-amine, 3-methyl,3-methyl-3h-adenine,n3-methyladenine,adenine, 3-methyl,3-methyl-3h-purin-6-ylamine,3-methyladenine 3-ma PubChem CID: 1673 ChEBI: CHEBI:38635 SMILES: CN1C=NC(N)=C2N=CN=C12
CGS 21680 hydrochloride, 99%
CAS: 120225-54-9 Molecular Formula: C23H30ClN7O6 Molecular Weight (g/mol): 535.986 MDL Number: MFCD11045878 InChI Key: QPHVMNOEKKJYJO-XWOZMEDYSA-N Synonym: cgs-21680 hydrochloride hydrate,3-4-2-6-amino-9-2r,3r,4s,5s-5-ethylcarbamoyl-3,4-dihydroxyoxolan-2-yl purin-2-yl amino ethyl phenyl propanoic acid hydrate hydrochloride,c23h29n7o6.clh.h2o,cgs-21680 hydrochloride hydrate, solid,2-p-2-carboxyethyl phenethylamino-5 inverted exclamation marka-n-ethylcarboxamidoadenosine hydrochloride hydrate PubChem CID: 133639586 IUPAC Name: 3-[4-[2-[[6-amino-9-[(2S,4S,5R)-5-(ethylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]amino]ethyl]phenyl]propanoic acid;hydrochloride SMILES: CCNC(=O)C1C(C(C(O1)N2C=NC3=C2N=C(N=C3N)NCCC4=CC=C(C=C4)CCC(=O)O)O)O.Cl
Theobromine, 99%
CAS: 83-67-0 Molecular Formula: C7H8N4O2 Molecular Weight (g/mol): 180.17 MDL Number: MFCD00022830 InChI Key: YAPQBXQYLJRXSA-UHFFFAOYSA-N Synonym: theobromine,3,7-dimethylxanthine,diurobromine,teobromin,theosalvose,theostene,santheose,thesodate,thesal,theobromin PubChem CID: 5429 ChEBI: CHEBI:28946 IUPAC Name: 3,7-dimethylpurine-2,6-dione SMILES: CN1C=NC2=C1C(=O)NC(=O)N2C
7-(2-Chloroethyl)theophylline, 97%, Thermo Scientific Chemicals
CAS: 5878-61-5 Molecular Formula: C9H11ClN4O2 Molecular Weight (g/mol): 242.663 MDL Number: MFCD00005760 InChI Key: QCIARNIKNKKHFH-UHFFFAOYSA-N Synonym: 7-2-chloroethyl theophylline,benaphyllin,eupnophile,7-chloroethyl theophylline,theophylline, 7-2-chloroethyl,beta-chloroethyltheophylline,unii-y7202un6b7,7-beta-chlorethyl theophylline,7-chloroethyltheophylline,1h-purine-2,6-dione, 7-2-chloroethyl-3,7-dihydro-1,3-dimethyl PubChem CID: 1882 IUPAC Name: 7-(2-chloroethyl)-1,3-dimethylpurine-2,6-dione SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCl
Benzyl nicotinate, 98%
CAS: 94-44-0 Molecular Formula: C13H11NO2 Molecular Weight (g/mol): 213.236 MDL Number: MFCD00023584 InChI Key: KVYGGMBOZFWZBQ-UHFFFAOYSA-N Synonym: benzyl nicotinate,nicotinic acid benzyl ester,rubriment,pycaril,pykaryl,niacin benzyl ester,3-pyridinecarboxylic acid, phenylmethyl ester,benzylis nicotinas,nicotinic acid, benzyl ester,nicotinsaeurebenzylester PubChem CID: 7191 ChEBI: CHEBI:31268 IUPAC Name: benzyl pyridine-3-carboxylate SMILES: C1=CC=C(C=C1)COC(=O)C2=CN=CC=C2
Indole-3-Butyric Acid Potassium Salt, MP Biomedicals™
Molecular Formula: C12H12KNO2 Molecular Weight (g/mol): 241.331 MDL Number: MFCD00058442 InChI Key: KTWDHJYSJOSTSJ-UHFFFAOYSA-M Synonym: potassium 4-1h-indol-3-yl butanoate,indole-3-butyric acid potassium salt,indole-3-butyric acid potassium,4-indol-3-ylbutanoic acid, potassium salt,potassium indolebutyrate,pubchem22140,cambridge id 5119461,potassium ion indole-3 butyrate,indole-3-butyric acid-potassium salt,3-indole butyric acid, potassium salt PubChem CID: 23664348 IUPAC Name: potassium;4-(1H-indol-3-yl)butanoate SMILES: C1=CC=C2C(=C1)C(=CN2)CCCC(=O)[O-].[K+]
5-Bromo-1,2-dimethyl-1H-imidazole, ≥97%, Thermo Scientific™
CAS: 24134-09-6 Molecular Formula: C5H7BrN2 Molecular Weight (g/mol): 175.03 MDL Number: MFCD06659905 InChI Key: WIRCWIXZNDCIST-UHFFFAOYSA-N Synonym: 5-bromo-1,2-dimethyl-1h-imidazole,1h-imidazole,5-bromo-1,2-dimethyl,pubchem23641,1,2-dimethyl-5-bromo-1h-imidazole,1h-imidazole, 5-bromo-1,2-dimethyl PubChem CID: 7204879 IUPAC Name: 5-bromo-1,2-dimethylimidazole SMILES: CN1C(C)=NC=C1Br
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
2,4,5-Triphenylimidazole, 97%
CAS: 484-47-9 Molecular Formula: C21H16N2 Molecular Weight (g/mol): 296.373 MDL Number: MFCD00005187 InChI Key: RNIPJYFZGXJSDD-UHFFFAOYSA-N Synonym: 2,4,5-triphenylimidazole,lophine,lophin,1h-imidazole, 2,4,5-triphenyl,2,4,5-triphenyl-1,3-imidazole,unii-q6k46g80zd,imidazole, 2,4,5-triphenyl,chembl34173,2,5-triphenylimidazole,imidazole,4,5-triphenyl PubChem CID: 10232 IUPAC Name: 2,4,5-triphenyl-1H-imidazole SMILES: C1=CC=C(C=C1)C2=C(N=C(N2)C3=CC=CC=C3)C4=CC=CC=C4