Organoheterocyclic compounds
Theophylline, MP Biomedicals™
CAS: 58-55-9 Molecular Formula: C7H8N4O2 Molecular Weight (g/mol): 180.167 InChI Key: ZFXYFBGIUFBOJW-UHFFFAOYSA-N Synonym: theophylline,1,3-dimethylxanthine,elixophyllin,theophyllin,theolair,nuelin,theophylline anhydrous,respbid,theocin,theo-dur PubChem CID: 2153 ChEBI: CHEBI:28177 IUPAC Name: 1,3-dimethyl-7H-purine-2,6-dione SMILES: CN1C2=C(C(=O)N(C1=O)C)NC=N2
(R)-(+)-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid
CAS: 103733-65-9 Molecular Formula: C10H11NO2 Molecular Weight (g/mol): 177.20 MDL Number: MFCD00144038 InChI Key: BWKMGYQJPOAASG-UHFFFAOYNA-N Synonym: r-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid,3r-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,h-d-tic-oh,d-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,r-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,r-+-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,3-isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, 3r,3r-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid,3r-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid,r-1,2,3,4-tetrahydro-3-isoquinolinecarboxylicacid PubChem CID: 712398 SMILES: OC(=O)C1CC2=CC=CC=C2CN1
2-Amino-4-(trifluoromethyl)pyridine-5-boronic acid pinacol ester, 95%
CAS: 944401-57-4 Molecular Formula: C12H16BF3N2O2 Molecular Weight (g/mol): 288.077 MDL Number: MFCD12923420 InChI Key: AHNBKJSRXQDYEO-UHFFFAOYSA-N Synonym: 5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-4-trifluoromethyl pyridin-2-amine,2-amino-4-trifluoromethyl pyridine-5-boronic acid pinacol ester,5-tetramethyl-1,3,2-dioxaborolan-2-yl-4-trifluoromethyl pyridin-2-amine,6-amino-4-trifluoromethyl pyridin-3-yl boronic acid pinacol ester,4-trifluoromethyl-5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyridin-2-amine,4-trifluoromethyl-5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyridm-2-amine,5-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl-4-trifluoromethyl pyridin-2-amine PubChem CID: 57416499 IUPAC Name: 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2C(F)(F)F)N
2,4,6-Trichloropyridine, 97%
CAS: 16063-69-7 Molecular Formula: C5H2Cl3N Molecular Weight (g/mol): 182.428 MDL Number: MFCD00971928 InChI Key: FJNNGKMAGDPVIU-UHFFFAOYSA-N Synonym: pyridine, 2,4,6-trichloro,2,4,6-trichloro-pyridine,pubchem11020,acmc-1bu24,ksc497g8t,2,4,6-tris chloranyl pyridine,2,4,6-trichloropyridine PubChem CID: 27665 IUPAC Name: 2,4,6-trichloropyridine SMILES: C1=C(C=C(N=C1Cl)Cl)Cl
2-Chloro-N,N-dimethylnicotinamide, 97%
CAS: 52943-21-2 Molecular Formula: C8H9ClN2O Molecular Weight (g/mol): 184.623 MDL Number: MFCD08593346 InChI Key: QNZRJGJNLOMEGJ-UHFFFAOYSA-N Synonym: 2-chloro-n,n-dimethylnicotinamide,2-chloro-n,n-dimethyl-nicotinamide,2-chloropyridine-3-carboxylic acid n,n-dimethylamide,2-chloro-n,n-dimethyl-pyridine-3-carboxamide,2-chloro-n,n'-dimethylnicotinamide,3-pyridinecarboxamide,2-chloro-n,n-dimethyl,2-chloro 3-pyridyl-n,n-dimethylcarboxamide,n,n-dimethyl-2-chloro-3-pyridinecarboxamide PubChem CID: 10965214 IUPAC Name: 2-chloro-N,N-dimethylpyridine-3-carboxamide SMILES: CN(C)C(=O)C1=C(N=CC=C1)Cl
N-(Benzoyloxy)succinimide, 97%
CAS: 23405-15-4 Molecular Formula: C11H9NO4 Molecular Weight (g/mol): 219.196 MDL Number: MFCD00078953 InChI Key: BVUOEDOMUOJKOY-UHFFFAOYSA-N Synonym: n-benzoyloxy succinimide,bz-osu,n-succinimidyl benzoate,benzoic acid n-hydroxysuccinimide ester,2,5-pyrrolidinedione, 1-benzoyloxy,1-benzoyloxy-2,5-pyrrolidinedione,2,5-dioxoazolidinyl benzoate,1-phenylcarbonyl oxy pyrrolidine-2,5-dione,benzoyoxysuccinimide,benzoic acid succinimidyl ester PubChem CID: 716426 IUPAC Name: (2,5-dioxopyrrolidin-1-yl) benzoate SMILES: C1CC(=O)N(C1=O)OC(=O)C2=CC=CC=C2
4-(1-Pyrrolidinyl)benzeneboronic acid pinacol ester, 97%
CAS: 852227-90-8 Molecular Formula: C16H24BNO2 Molecular Weight (g/mol): 273.18 MDL Number: MFCD08060504 InChI Key: DWJNNJSONWFVBT-UHFFFAOYSA-N Synonym: 1-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl pyrrolidine,4-pyrrolidinophenylboronic acid pinacol ester,4-1-pyrrolidinyl benzeneboronic acid pinacol ester,1-4-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl pyrrolidine,4-pyrrolidinophenylboronic acid, pinacol ester,4-pyrrolidin-1-yl phenylboronic acid pinacol ester,4-pyrrolidin-1-yl benzeneboronic acid, pinacol ester,4-pyrrolidin-1-yl phenyl boronic acid pinacol ester,1-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl phenyl pyrrolidine PubChem CID: 18525715 IUPAC Name: 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidine SMILES: CC1(C)OB(OC1(C)C)C1=CC=C(C=C1)N1CCCC1
![3-[2-(Trimethylsilyl)ethynyl]benzeneboronic acid pinacol ester, 97%](https://assets.fishersci.com/TFS-Assets/CCG/Chemical-Structures/chemical-structure-cas-915402-03-8.jpg-250.jpg)
3-[2-(Trimethylsilyl)ethynyl]benzeneboronic acid pinacol ester, 97%
CAS: 915402-03-8 Molecular Formula: C17H25BO2Si Molecular Weight (g/mol): 300.28 MDL Number: MFCD08706285 InChI Key: LDKJXCOLGXLWKP-UHFFFAOYSA-N Synonym: 4,4,5,5-tetramethyl-2-3-trimethylsilanylethynyl-phenyl-1,3,2 dioxaborolane,3-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl-phenylethynyl-trimethylsilane,trimethyl 2-3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl ethynyl silane,3-trimethylsilyl ethynyl phenylboronic acid pinacol ester,trimethyl 3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl ethynyl silane,amtb201,3-2-trimethylsilyl ethynyl benzeneboronic acid pinacol ester PubChem CID: 17999151 SMILES: CC1(C)OB(OC1(C)C)C1=CC(=CC=C1)C#C[Si](C)(C)C
(+/-)-1-Boc-3-hydroxypyrrolidine, 97%
CAS: 103057-44-9 Molecular Formula: C9H17NO3 Molecular Weight (g/mol): 187.239 MDL Number: MFCD04038535 InChI Key: APCBTRDHCDOPNY-UHFFFAOYSA-N Synonym: 1-boc-3-hydroxypyrrolidine,1-boc-3-pyrrolidinol,n-boc-3-hydroxypyrrolidine,n-boc-3-pyrrolidinol,1-n-boc-3-hydroxypyrrolidine,1-pyrrolidinecarboxylic acid, 3-hydroxy-, 1,1-dimethylethyl ester,1-tert-butoxycarbonyl-3-pyrrolidinol,3-hydroxy-pyrrolidine-1-carboxylic acid tert-butyl ester,tert-butyl 3-hydroxypyrrolidinecarboxylate,1-tert-butoxycarbonyl-3-hydroxypyrrolidine PubChem CID: 4416939 IUPAC Name: tert-butyl 3-hydroxypyrrolidine-1-carboxylate SMILES: CC(C)(C)OC(=O)N1CCC(C1)O
1-Boc-4-(6-nitro-3-pyridyl)piperazine, 97%
CAS: 571189-16-7 Molecular Formula: C14H20N4O4 Molecular Weight (g/mol): 308.338 MDL Number: MFCD11849291 InChI Key: SUWKOEMQNOBJEQ-UHFFFAOYSA-N Synonym: tert-butyl 4-6-nitropyridin-3-yl piperazine-1-carboxylate,1-boc-4-6-nitro-3-pyridyl piperazine,1-boc-4-6-nitropyridin-3-yl piperazine,1-piperazinecarboxylic acid, 4-6-nitro-3-pyridinyl-, 1,1-dimethylethyl ester,4-6-nitro-pyridin-3-yl-piperazine-1-carboxylic acid tert-butyl ester,1-boc-4-6-nitro-pyridin-3-yl-piperazine,1-piperazinecarboxylic acid, 4-6-nitro-3-pyridiny,tert-butyl 4-6-nitropyridin-3-yl piperazine-carboxylate,tert-butyl 4-6-nitro-3-pyridyl piperazine-1-carboxylate PubChem CID: 11243758 IUPAC Name: tert-butyl 4-(6-nitropyridin-3-yl)piperazine-1-carboxylate SMILES: CC(C)(C)OC(=O)N1CCN(CC1)C2=CN=C(C=C2)[N+](=O)[O-]
![4-[2-(6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinolinyl)ethyl]aniline, 97%](https://assets.fishersci.com/TFS-Assets/CCG/Chemical-Structures/chemical-structure-cas-82925-02-8.jpg-250.jpg)
4-[2-(6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinolinyl)ethyl]aniline, 97%
CAS: 82925-02-8 Molecular Formula: C19H24N2O2 Molecular Weight (g/mol): 312.41 MDL Number: MFCD04974539 InChI Key: DGOOLMGPMIHRFY-UHFFFAOYSA-N Synonym: 4-2-6,7-dimethoxy-3,4-dihydroisoquinolin-2 1h-yl ethyl aniline,4-2-6,7-dimethoxy-1,2,3,4-tetrahydro-2-isoquinolinyl ethyl aniline,4-2-3,4-dihydro-6,7-dimethoxy-2 1h-isoquinolinyl ethyl-benzenamine,4-2-6,7-dimethoxy-3,4-dihydro-1h-isoquinolin-2-yl ethyl aniline,benzenamine,4-2-3,4-dihydro-6,7-dimethoxy-2 1h-isoquinolinyl ethyl,4-2-6,7-dimethoxy-3,4-dihydroisoquinoline-2 1h-yl-ethyl-benzenamine,4-2-1,2,3,4-tetrahydro-6,7-dimethoxy-2-isoquinolyl ethyl benzenamine,4-2-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-2-yl ethyl benzenamine,4-2-6,7-dimethoxy-3,4-dihydroisoquinolin-2 1h-yl ethyl benzenamine PubChem CID: 10041227 IUPAC Name: 4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]aniline SMILES: COC1=C(OC)C=C2CN(CCC3=CC=C(N)C=C3)CCC2=C1
5-Phenyl-1H-tetrazole, 99%
CAS: 18039-42-4 Molecular Formula: C7H6N4 Molecular Weight (g/mol): 146.153 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
6-Methyl-2-pyridinemethanol, 98%
CAS: 1122-71-0 Molecular Formula: C7H9NO Molecular Weight (g/mol): 123.16 MDL Number: MFCD00023520 InChI Key: JLVBSBMJQUMAMW-UHFFFAOYSA-N Synonym: 6-methyl-2-pyridinemethanol,6-methylpyridin-2-yl methanol,2-pyridinemethanol, 6-methyl,6-methyl-2-pyridylmethanol,6-methylpyridine-2-methanol,2-hydroxymethyl-6-methylpyridine,6-methyl-2-pyridyl methan-1-ol,pubchem20959,acmc-2099dw,6-methyl-2-pyridylcarbinol PubChem CID: 70736 IUPAC Name: (6-methylpyridin-2-yl)methanol SMILES: CC1=CC=CC(CO)=N1
Methyl 3-amino-5,6-dichloropyrazine-2-carboxylate, 97%
CAS: 1458-18-0 Molecular Formula: C6H5Cl2N3O2 Molecular Weight (g/mol): 222.025 MDL Number: MFCD00010431 InChI Key: USYMCUGEGUFUBI-UHFFFAOYSA-N Synonym: methyl 3-amino-5,6-dichloro-2-pyrazinecarboxylate,pyrazinecarboxylic acid, 3-amino-5,6-dichloro-, methyl ester,3-amino-5,6-dichloro-2-pyrazinecarboxylic acid methyl ester,3-amino-5,6-dichloro-pyrazine-2-carboxylic acid methyl ester,acmc-1bujh,dsstox_cid_31434,dsstox_rid_97320,dsstox_gsid_57645,methyl 3-amino-5,6-dichloropyrazinoate,methyl 3-amino-5,6-dichloropyrazinecarboxylate PubChem CID: 73828 IUPAC Name: methyl 3-amino-5,6-dichloropyrazine-2-carboxylate SMILES: COC(=O)C1=C(N=C(C(=N1)Cl)Cl)N
N-Bromosuccinimide, 98%, Spectrum™ Chemical
CAS: 128-08-5 Molecular Formula: C4H4BrNO2 Molecular Weight (g/mol): 177.99 InChI Key: PCLIMKBDDGJMGD-UHFFFAOYSA-N IUPAC Name: 1-bromopyrrolidine-2,5-dione SMILES: BrN1C(=O)CCC1=O