Organoheterocyclic compounds
Indole-3-propionic acid, ∽99%, MP Biomedicals™
CAS: 830-96-6 Molecular Formula: C11H11NO2 Molecular Weight (g/mol): 189.21 MDL Number: MFCD00005660 InChI Key: GOLXRNDWAUTYKT-UHFFFAOYSA-N Synonym: 3-indolepropionic acid,indole-3-propionic acid,3-1h-indol-3-yl propanoic acid,1h-indole-3-propanoic acid,indolepropionic acid,indolylpropionic acid,3-3-indolyl propionic acid,3-3-indolyl propanoic acid,ipa auxin,1h-indole-3-propionic acid PubChem CID: 3744 ChEBI: CHEBI:43580 IUPAC Name: 3-(1H-indol-3-yl)propanoic acid SMILES: OC(=O)CCC1=CNC2=CC=CC=C12
4,6-Dichloropyrimidine, 97%
CAS: 1193-21-1 Molecular Formula: C4H2Cl2N2 Molecular Weight (g/mol): 148.97 MDL Number: MFCD00006109 InChI Key: XJPZKYIHCLDXST-UHFFFAOYSA-N Synonym: pyrimidine, 4,6-dichloro,4,6-dichloro-pyrimidine,4,6-dichloro pyrimidine,4,6-dichloro-1,3-diazine,4,6-dichlorpyrimidin,dichloropyrmidine,dichloropyrimidine,zlchem 225,pubchem6913,4,6-dichloropyrimdine PubChem CID: 70943 IUPAC Name: 4,6-dichloropyrimidine SMILES: ClC1=CC(Cl)=NC=N1
5-Nitro-2-furonitrile, 97%
CAS: 59-82-5 Molecular Formula: C5H2N2O3 Molecular Weight (g/mol): 138.08 MDL Number: MFCD00082647 InChI Key: DUJNJLFQOODDNJ-UHFFFAOYSA-N Synonym: 5-nitro-2-furonitrile,5-nitro-2-furancarbonitrile,unii-e63b56v8ya,2-furancarbonitrile, 5-nitro,5-nitro-2-cyanofuran,5-nitro-2-furonitril,2-nitrofuran-5-carbonitrile,acmc-1an56,5-nitro-furan-2-carbonitrile,2-furancarbonitrile,5-nitro PubChem CID: 94881 IUPAC Name: 5-nitrofuran-2-carbonitrile SMILES: [O-][N+](=O)C1=CC=C(O1)C#N
2,3-Dimethylpyrazine, 99%
CAS: 5910-89-4 Molecular Formula: C6H8N2 Molecular Weight (g/mol): 108.14 MDL Number: MFCD00006144 InChI Key: OXQOBQJCDNLAPO-UHFFFAOYSA-N Synonym: pyrazine, 2,3-dimethyl,2,3-dimethyl-1,4-diazine,2,3-dimethyl-pyrazine,pyrazine, dimethyl,2,3-dimethyl pyrazine,ccris 2928,unii-whf7883d0v,fema no. 3271,natural,dimethylpyrazine PubChem CID: 22201 IUPAC Name: 2,3-dimethylpyrazine SMILES: CC1=NC=CN=C1C
2-(1-Piperazinyl)pyrimidine, 99%
CAS: 20980-22-7 Molecular Formula: C8H12N4 Molecular Weight (g/mol): 164.212 MDL Number: MFCD00040742 InChI Key: MRBFGEHILMYPTF-UHFFFAOYSA-N Synonym: 2-1-piperazinyl pyrimidine,1-2-pyrimidyl piperazine,2-piperazin-1-yl pyrimidine,1-2-pyrimidinyl piperazine,2-piperazinopyrimidine,campiron,pyrimidine, 2-1-piperazinyl,campirone,kampirone,2-piperazin-1-yl-pyrimidine PubChem CID: 88747 IUPAC Name: 2-piperazin-1-ylpyrimidine SMILES: C1CN(CCN1)C2=NC=CC=N2
4-Methylphthalic anhydride, 96%
CAS: 19438-61-0 Molecular Formula: C9H6O3 Molecular Weight (g/mol): 162.14 MDL Number: MFCD00041856 InChI Key: ZOXBWJMCXHTKNU-UHFFFAOYSA-N Synonym: 4-methylphthalic anhydride,5-methylisobenzofuran-1,3-dione,1,3-isobenzofurandione, 5-methyl,unii-2p2740fpck,phthalic anhydride, 4-methyl,dsstox_cid_7805,5-methyl-1,3-dihydro-2-benzofuran-1,3-dione,dsstox_rid_78575,dsstox_gsid_27805,4methylphthalic anhydride PubChem CID: 88069 IUPAC Name: 5-methyl-2-benzofuran-1,3-dione SMILES: CC1=CC2=C(C=C1)C(=O)OC2=O
6-Chloro-7-deazapurine, 98%
CAS: 3680-69-1 Molecular Formula: C6H4ClN3 Molecular Weight (g/mol): 153.569 MDL Number: MFCD01686865 InChI Key: BPTCCCTWWAUJRK-UHFFFAOYSA-N Synonym: 4-chloro-7h-pyrrolo 2,3-d pyrimidine,4-chloropyrrolo 2,3-d pyrimidine,6-chloro-7-deazapurine,4-chloro-1h-pyrrolo 2,3-d pyrimidine,7h-pyrrolo 2,3-d pyrimidine, 4-chloro,1h-pyrrolo 2,3-d pyrimidine, 4-chloro,6-chloro-7-deazapurine 4-chloro-1h-pyrrolo 2,3-d pyrimidine,4-chloro-1h-pyrrol 2,3-d pyrimidine PubChem CID: 5356682 IUPAC Name: 4-chloro-7H-pyrrolo[2,3-d]pyrimidine SMILES: C1=CNC2=C1C(=NC=N2)Cl
4-Amino-1H-pyrazole, 95%
CAS: 28466-26-4 Molecular Formula: C3H5N3 Molecular Weight (g/mol): 83.094 MDL Number: MFCD01693729 InChI Key: AXINVSXSGNSVLV-UHFFFAOYSA-N Synonym: 4-aminopyrazole,4-amino-1h-pyrazole,1h-pyrazol-4-ylamine,9ci,pyrazole, 4-amino,1h-pyrazole-4-amine,pyrazole-4-ylamine,4-nh2-pyrazole,1-h-pyrazol-4-amine,pubchem14988 PubChem CID: 78035 IUPAC Name: 1H-pyrazol-4-amine SMILES: C1=C(C=NN1)N
1-n-Butyl-3-methylimidazolium n-octyl sulfate, 99%
CAS: 445473-58-5 Molecular Formula: C16H32N2O4S Molecular Weight (g/mol): 348.50 MDL Number: MFCD03788914 InChI Key: KIDIBVPFLKLKAH-UHFFFAOYSA-M Synonym: 1-butyl-3-methylimidazolium octyl sulfate,1-butyl-3-methylimidazolium octylsulfate,1-butyl-3-methyl-1h-imidazol-3-ium octyl sulfate,1-butyl-3-methylimidazolium n-octyl sulfate,acmc-20aowg,bmim osu,1-methyl-3-butylimidazolium octyl sulfate,1-n-butyl-3-methylimidazoliumoctyl sulfate,1-butyl-3-methylimidazolium 1-octyl sulfate,1-n-butyl-3-methylimidazolium octyl sulfate PubChem CID: 12095226 IUPAC Name: 1-butyl-3-methylimidazol-3-ium;octyl sulfate SMILES: CCCCN1C=C[N+](C)=C1.CCCCCCCCOS([O-])(=O)=O
N-BOC-4-Piperidinecarboxylic acid, 98%
CAS: 84358-13-4 Molecular Formula: C11H19NO4 Molecular Weight (g/mol): 229.28 MDL Number: MFCD00076999 InChI Key: JWOHBPPVVDQMKB-UHFFFAOYSA-N Synonym: n-boc-isonipecotic acid,1-tert-butoxycarbonyl piperidine-4-carboxylic acid,n-boc-piperidine-4-carboxylic acid,1-boc-piperidine-4-carboxylic acid,boc-inp-oh,1-boc-isonipecotic acid,1-tert-butoxycarbonyl-4-piperidinecarboxylic acid,boc-isonipecotic acid,1-boc-4-piperidinecarboxylic acid,1-tert-butoxy carbonyl piperidine-4-carboxylic acid PubChem CID: 392871 IUPAC Name: 1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid SMILES: CC(C)(C)OC(=O)N1CCC(CC1)C(O)=O
3-Cyano-2-fluoropyridine, 98%
CAS: 3939-13-7 Molecular Formula: C6H3FN2 Molecular Weight (g/mol): 122.102 MDL Number: MFCD03095082 InChI Key: USIDQCCXMGJOJM-UHFFFAOYSA-N Synonym: 3-cyano-2-fluoropyridine,2-fluoronicotinonitrile,2-fluoro-3-cyanopyridine,3-pyridinecarbonitrile, 2-fluoro,2-fluoro-nicotinonitrile,2-fluoro-3-pyridinecarbonitrile,pubchem1108,2-fluoronicotin-onitrile,acmc-1ckgi,2-fluoro-3-nitrylpyridine PubChem CID: 2783254 IUPAC Name: 2-fluoropyridine-3-carbonitrile SMILES: C1=CC(=C(N=C1)F)C#N
2-Chloropyridine-4-boronic acid pinacol ester, 97%, Thermo Scientific™
CAS: 458532-84-8 Molecular Formula: C11H15BClNO2 Molecular Weight (g/mol): 239.506 MDL Number: MFCD04039870 InChI Key: UUEQDBHKMOFLDP-UHFFFAOYSA-N Synonym: 2-chloro-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyridine,2-chloropyridine-4-boronic acid pinacol ester,2-chloro-4-tetramethyl-1,3,2-dioxaborolan-2-yl pyridine,2-chloropyridin-4-ylboronic acid pinacol ester,2-chloro-4-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl-pyridine,2-chloropyridine-4-boronic acid, pinacol ester,2-chloro-4-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl pyridine,2-chloro-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-pyridine,pyridine, 2-chloro-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl,pubchem16684 PubChem CID: 5103408 IUPAC Name: 2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=NC=C2)Cl
2,4,6-Triphenyl-s-triazine, 98+%
CAS: 493-77-6 Molecular Formula: C21H15N3 Molecular Weight (g/mol): 309.37 MDL Number: MFCD00006051 InChI Key: HBQUOLGAXBYZGR-UHFFFAOYSA-N Synonym: cyaphenine,triphenyl-s-triazine,1,3,5-triazine, 2,4,6-triphenyl,2,4,6-triphenyl-s-triazine,kyaphenine,s-triphenyltriazine,2,4,6-triphenyltriazine,triphenyl-1,3,5-triazine,s-triazine, 2,4,6-triphenyl-8ci,s-triazine, 2,4,6-triphenyl PubChem CID: 10305 IUPAC Name: 2,4,6-triphenyl-1,3,5-triazine SMILES: C1=CC=C(C=C1)C1=NC(=NC(=N1)C1=CC=CC=C1)C1=CC=CC=C1
N-BOC-3-(4-Cyanophenyl)oxaziridine, 98+%
CAS: 150884-56-3 Molecular Formula: C13H14N2O3 Molecular Weight (g/mol): 246.27 MDL Number: MFCD00800493 InChI Key: ACXPNVRTMHEHMQ-UHFFFAOYSA-N Synonym: n-boc-3-4-cyanophenyl oxaziridine,tert-butyl 3-4-cyanophenyl-1,2-oxaziridine-2-carboxylate,tert-butyl 3-4-cyanophenyl oxaziridine-2-carboxylate,2-oxaziridinecarboxylicacid, 3-4-cyanophenyl-, 1,1-dimethylethyl ester, 2r,3s-rel-9ci,acmc-20n62r,n-boc-3-4-cyanophenyl oxaziridine, 98+%,2-tert-butoxycarbonyl-3-4-cyanophenyl oxaziridine,n-tert-butoxycarbonyl-3-4-cyanophenyl-oxaziridine,3-4-cyano-phenyl-oxaziridine-2-carboxylic acid tert-butyl ester,3-4-cyano-phenyl oxaziridine-2-carboxylic acid tert-butyl ester PubChem CID: 2725038 IUPAC Name: tert-butyl 3-(4-cyanophenyl)oxaziridine-2-carboxylate SMILES: CC(C)(C)OC(=O)N1C(O1)C2=CC=C(C=C2)C#N
9-Hydroxyxanthene, 97+%
CAS: 90-46-0 Molecular Formula: C13H10O2 Molecular Weight (g/mol): 198.22 MDL Number: MFCD00005057 InChI Key: JFRMYMMIJXLMBB-UHFFFAOYSA-N Synonym: 9-hydroxyxanthene,xanthydrol,xanthanol,9-xanthydrol,xanthen-9-ol,xanthene, hydroxy,9-xanthenol,ccris 1640,unii-7131m69ikf,xanthrol PubChem CID: 72861 IUPAC Name: 9H-xanthen-9-ol SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)O