Organoheterocyclic compounds
1-n-Butylpyridinium bromide, 99%
CAS: 874-80-6 Molecular Formula: C9H14BrN Molecular Weight (g/mol): 216.12 MDL Number: MFCD00671496 InChI Key: KVBQNFMTEUEOCD-UHFFFAOYSA-M Synonym: 1-butylpyridinium bromide,butylpyridinium bromide,1-butylpyridin-1-ium bromide,n-butylpyridinium bromide,unii-f72fd1bswg,f72fd1bswg,1-n-butylpyridinium bromide,pyridinium, 1-butyl-, bromide,1-butylpyridiniumbromide,acmc-209qnu PubChem CID: 2734238 IUPAC Name: 1-butylpyridin-1-ium;bromide SMILES: [Br-].CCCC[N+]1=CC=CC=C1
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
5-Bromo-1,3-dimethyl-2-pyridone, 97%
CAS: 51417-13-1 Molecular Formula: C7H8BrNO Molecular Weight (g/mol): 202.051 MDL Number: MFCD16658881 InChI Key: UEHHXNZKBMALIY-UHFFFAOYSA-N Synonym: 5-bromo-1,3-dimethyl-2-pyridone,5-bromo-1,3-dimethylpyridin-2 1h-one,5-bromo-1,3-dimethyl-1h-pyridin-2-one,2 1h-pyridinone, 5-bromo-1,3-dimethyl,1,3-dimethyl-5-bromopyridine-2 1h-one,5-bromo-1,3-dimethyl-1,2-dihydropyridin-2-one PubChem CID: 12272664 IUPAC Name: 5-bromo-1,3-dimethylpyridin-2-one SMILES: CC1=CC(=CN(C1=O)C)Br
2-Fluoro-6-methoxybenzeneboronic acid pinacol ester, 96%
CAS: 1599432-41-3 Molecular Formula: C13H18BFO3 Molecular Weight (g/mol): 252.092 InChI Key: CSXSULPDIWBLHT-UHFFFAOYSA-N Synonym: 2-2-fluoro-6-methoxyphenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,2-fluoro-6-methoxybenzeneboronic acid pinacol ester,2-fluoro-6-methoxyphenylboronic acid pinacol ester,2-fluoro-6-methoxybenzeneboronicacidpinacolester,2-fluoro-6-methoxyphenylboronicacidpinacolester,2-fluoro-6-methoxyphenylboronic acid 2,3-dimethyl-2,3-butanediyl PubChem CID: 72221147 IUPAC Name: 2-(2-fluoro-6-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane SMILES: B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC=C2F)OC
2-Cyano-4-fluorobenzeneboronic acid pinacol ester, 96%, Thermo Scientific Chemicals
CAS: 461451-63-8 Molecular Formula: C13H15BFNO2 Molecular Weight (g/mol): 247.076 MDL Number: MFCD09260444 InChI Key: IMEIHRCZDURBEC-UHFFFAOYSA-N Synonym: 5-fluoro-2-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzonitrile,2-cyano-4-fluorophenylboronic acid pinacol ester,2-cyano-4-fluorobenzeneboronic acid pinacol ester,5-fluoro-2-tetramethyl-1,3,2-dioxaborolan-2-yl benzonitrile,2-cyano-4-fluorophenylboronicacidpinacolester,2-cyano-4-fluorophenyl boronic acid pinacol ester,5-fluoro-2-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl-benzonitrile,5-fluoro-2-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl benzonitrile,5-fluoranyl-2-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzenecarbonitrile,5-fluoro-2-4,4,5,5-tetramethyl 1,3,2-dioxaborolan-2-yl benzenecarbonitrile PubChem CID: 22180790 IUPAC Name: 5-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile SMILES: B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)F)C#N
6-Chloro-2,4-dimethoxypyrimidine, 98+%
CAS: 6320-15-6 Molecular Formula: C6H7ClN2O2 Molecular Weight (g/mol): 174.58 MDL Number: MFCD00006068 InChI Key: JHNRTJRDRWKAIW-UHFFFAOYSA-N Synonym: 6-chloro-2,4-dimethoxypyrimidine,2,4-dimethoxy-6-chloropyrimidine,pyrimidine, 4-chloro-2,6-dimethoxy,4-chloro-2,6-dimethoxy-pyrimidine,pubchem16350,acmc-209ndu,4-chlor-2,6-dimethoxypyrimidin,4-chloro-2,6-dimethoxypyrimidin,2,6-dimethoxy-4-chloropyrimidine,6-chloro-2,4-dimethixypyrimidine PubChem CID: 80600 IUPAC Name: 4-chloro-2,6-dimethoxypyrimidine SMILES: COC1=CC(Cl)=NC(OC)=N1
Indole-5-carbonitrile, 98+%
CAS: 15861-24-2 Molecular Formula: C9H6N2 Molecular Weight (g/mol): 142.161 MDL Number: MFCD00005669 InChI Key: YHYLDEVWYOFIJK-UHFFFAOYSA-N Synonym: 5-cyanoindole,indole-5-carbonitrile,5-cyano indole,5-cyano-1h-indole,indole-5-cyano,5-indolecarbonitrile,5-cyano-indole,indol-5-carbonitrile,indole, 5-cyano,pubchem7326 PubChem CID: 27513 IUPAC Name: 1H-indole-5-carbonitrile SMILES: C1=CC2=C(C=CN2)C=C1C#N
7-Fluorobenzofurazan-4-sulfonic acid ammonium salt, 99%, Thermo Scientific Chemicals
CAS: 84806-27-9 Molecular Formula: C6H6FN3O4S Molecular Weight (g/mol): 235.189 MDL Number: MFCD02682109 InChI Key: JXLHNMVSKXFWAO-UHFFFAOYSA-N Synonym: sbd-f,7-fluorobenzofurazan-4-sulfonic acid ammonium salt,ammonium 7-fluoro-2,1,3-benzoxadiazole-4-sulfonate,ammonium 7-fluoro-2,1,3-benzoxadiazole-4-sulphonate,azanium 7-fluoro-2,1,3-benzoxadiazole-4-sulfonate,ammonium 7-fluorobenzo c 1,2,5 oxadiazole-4-sulfonate,7-fluorobenzo c 1,2,5-oxadiazole-4-sulfonic acid, azamethane,2,1,3-benzoxadiazole-4-sulfonic acid, 7-fluoro-, ammonium salt 1:1 PubChem CID: 2737780 IUPAC Name: azanium;7-fluoro-2,1,3-benzoxadiazole-4-sulfonate SMILES: C1=C(C2=NON=C2C(=C1)S(=O)(=O)[O-])F.[NH4+]
2,2,4-Trimethyl-1,3-dioxolane, 99%
CAS: 1193-11-9 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00090841 InChI Key: ALTFLAPROMVXNX-UHFFFAOYNA-N PubChem CID: 62384 IUPAC Name: 2,2,4-trimethyl-1,3-dioxolane SMILES: CC1COC(C)(C)O1
2-(4-Methyl-5-thiazolyl)ethyl acetate, 98+%
CAS: 656-53-1 Molecular Formula: C8H11NO2S Molecular Weight (g/mol): 185.24 MDL Number: MFCD00005338 InChI Key: CRTCWNPLKVVXIX-UHFFFAOYSA-N Synonym: 2-4-methylthiazol-5-yl ethyl acetate,4-methyl-5-thiazolylethyl acetate,2-4-methyl-5-thiazolyl ethyl acetate,sulfurol acetate,4-methyl-5-2-acetoxyethyl thiazole,4-methyl-5-thiazoleethanol acetate,5-2-acetoxyethyl-4-methylthiazole,2-4-methyl-1,3-thiazol-5-yl ethyl acetate,5-thiazoleethanol, 4-methyl-, acetate ester,4-methyl-5-beta-acetoxyethyl thiazole PubChem CID: 61192 IUPAC Name: 2-(4-methyl-1,3-thiazol-5-yl)ethyl acetate SMILES: CC(=O)OCCC1=C(C)N=CS1
3-(1-Piperazinylmethyl)indole, 95%
CAS: 114746-66-6 Molecular Formula: C13H17N3 Molecular Weight (g/mol): 215.3 InChI Key: ZTNAIHGOFCMOPJ-UHFFFAOYSA-N Synonym: 3-piperazin-1-ylmethyl-1h-indole,1h-indole,3-1-piperazinylmethyl,acmc-1c6nr,1-1h-indole-3-ylmethyl piperazine,1h-indole, 3-1-piperazinylmethyl-, hydrochloride PubChem CID: 17880880 IUPAC Name: 3-(piperazin-1-ylmethyl)-1H-indole SMILES: C1CN(CCN1)CC2=CNC3=CC=CC=C32
Cyclohexene oxide, 98+%
CAS: 286-20-4 Molecular Formula: C6H10O Molecular Weight (g/mol): 98.145 MDL Number: MFCD00005162 InChI Key: ZWAJLVLEBYIOTI-UHFFFAOYSA-N Synonym: cyclohexene oxide,7-oxabicyclo 4.1.0 heptane,1,2-epoxycyclohexane,cyclohexene epoxide,cyclohexylene oxide,tetramethyleneoxirane,cyclohexene 1-oxide,epoxycyclohexane,cyclohexeneoxide,1,2-cyclohexene oxide PubChem CID: 9246 IUPAC Name: 7-oxabicyclo[4.1.0]heptane SMILES: C1CCC2C(C1)O2
3-Chloro-2-hydroxypyridine, 97%
CAS: 13466-35-8 Molecular Formula: C5H4ClNO Molecular Weight (g/mol): 129.54 MDL Number: MFCD01646109 InChI Key: XTYNIPUFKBBALX-UHFFFAOYSA-N Synonym: 3-chloro-2-hydroxypyridine,3-chloropyridin-2-ol,3-chloro-2-pyridinol,2-hydroxy-3-chloropyridine,3-chloropyridin-2 1h-one,3-chloro-2 1h-pyridinone,chloropyridone,2 1h-pyridinone, 3-chloro,chloropyridinol,pubchem6538 PubChem CID: 582210 IUPAC Name: 3-chloro-1H-pyridin-2-one SMILES: ClC1=CC=CNC1=O
Xanthone, 99%
CAS: 90-47-1 Molecular Formula: C13H8O2 Molecular Weight (g/mol): 196.205 MDL Number: MFCD00005060 InChI Key: JNELGWHKGNBSMD-UHFFFAOYSA-N Synonym: xanthone,9h-xanthen-9-one,9-xanthenone,benzophenone oxide,9-oxoxanthene,genicide,xanthenone,9-xanthone,diphenylene ketone oxide,dibenzo-gamma-pyrone PubChem CID: 7020 ChEBI: CHEBI:37647 IUPAC Name: xanthen-9-one SMILES: C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3O2
2,3,5-Trimethylpyrazine, 99%
CAS: 14667-55-1 Molecular Formula: C7H10N2 Molecular Weight (g/mol): 122.171 MDL Number: MFCD00006145 InChI Key: IAEGWXHKWJGQAZ-UHFFFAOYSA-N Synonym: trimethylpyrazine,pyrazine, trimethyl,2,3,5-trimethyl pyrazine,2,3,6-trimethylpyrazine,ccris 2932,unii-q8pr0w8tit,trimethyl pyrazine,trimethyl-pyrazine,fema no. 3244,pyrazine, 2,3,5-trimethyl PubChem CID: 26808 IUPAC Name: 2,3,5-trimethylpyrazine SMILES: CC1=CN=C(C(=N1)C)C