Organoheterocyclic compounds
2-(2,5-Dimethyl-1H-pyrrol-1-yl)benzoic acid, 97%, Thermo Scientific™
CAS: 92028-57-4 Molecular Formula: C13H13NO2 Molecular Weight (g/mol): 215.25 MDL Number: MFCD01125264 InChI Key: ZLYUUANOICYAAL-UHFFFAOYSA-N Synonym: 2-2,5-dimethyl-1h-pyrrol-1-yl benzoic acid,2-2,5-dimethylpyrrol-1-yl benzoic acid,2-2,5-dimethyl-1-pyrrolyl benzoic acid,2-2,5-dimethyl-pyrrol-1-yl-benzoic acid,2-2,5-dimethylpyrrolyl benzoic acid,cbmicro_048042,benzoic acid,2-2,5-dimethyl-1h-pyrrol-1-yl PubChem CID: 292956 IUPAC Name: 2-(2,5-dimethylpyrrol-1-yl)benzoic acid SMILES: CC1=CC=C(C)N1C1=CC=CC=C1C(O)=O
5-Fluoroorotic Acid, MP Biomedicals
CAS: 703-95-7 Molecular Formula: C5H3FN2O4 Molecular Weight (g/mol): 174.087 MDL Number: MFCD00150658 InChI Key: SEHFUALWMUWDKS-UHFFFAOYSA-N Synonym: 5-fluoroorotic acid,5-fluoroorotate,fluoroorotic acid,5-fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid,orotic acid, 5-fluoro,5-foa,5-fluoro orotic acid,5-fluorouracil-4-carboxylic acid,unii-7ia9ouc93e,5-fluoroorotic acid van PubChem CID: 69711 ChEBI: CHEBI:42535 IUPAC Name: 5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxylic acid SMILES: C1(=C(NC(=O)NC1=O)C(=O)O)F
N-Methylpyridinium-4-carboxaldehyde benzenesulfonate hydrate, 97%
CAS: 82228-89-5 Molecular Formula: C13H13NO4S Molecular Weight (g/mol): 279.31 MDL Number: MFCD00043164 InChI Key: HSVLGIFAXFDLMU-UHFFFAOYSA-M Synonym: 4-formyl-1-methylpyridinium benzenesulfonate,4-formyl-1-methyl-pyridinium benzenesulfonate,4-formyl-1-methylpyridin-1-ium benzenesulfonate,pyridinium, 4-formyl-1-methyl-, benzenesulfonate,benzenesulfonate; 1-methylpyridin-1-ium-4-carbaldehyde,4-formyl-1-methyl pyridinium benzensulfonate,4-formyl-l-methyl pyridinium benzensulfonate,4-formyl-1-methylpyridinium benzenesulfo nate,benzenesulfonic acid, 1-methylpyridine-4-carbaldehyde PubChem CID: 9817127 IUPAC Name: benzenesulfonate;1-methylpyridin-1-ium-4-carbaldehyde SMILES: C[N+]1=CC=C(C=O)C=C1.[O-]S(=O)(=O)C1=CC=CC=C1
1-Methyl-4-piperidone, 98%
CAS: 1445-73-4 Molecular Formula: C6H11NO Molecular Weight (g/mol): 113.16 MDL Number: MFCD00006191 InChI Key: HUUPVABNAQUEJW-UHFFFAOYSA-N Synonym: 1-methyl-4-piperidone,n-methyl-4-piperidone,1-methyl-4-piperidinone,4-piperidinone, 1-methyl,4-piperidone, 1-methyl,n-methyl-4-piperidinone,1-methyl-4-piperidione,n-methylpiperidine-4-one,1-methyl-4-oxopiperidine,1-methylpiperidine-4-one PubChem CID: 74049 IUPAC Name: 1-methylpiperidin-4-one SMILES: CN1CCC(=O)CC1
N-Iodosuccinimide, 97%
CAS: 516-12-1 Molecular Formula: C4H4INO2 Molecular Weight (g/mol): 224.99 MDL Number: MFCD00005512 InChI Key: LQZMLBORDGWNPD-UHFFFAOYSA-N Synonym: n-iodosuccinimide,succiniodimide,n-iodo succinimide,2,5-pyrrolidinedione, 1-iodo,unii-3cos3x3n4p,nis,succinimide, n-iodo,3cos3x3n4p,1-iodo-pyrrolidine-2,5-dione,1-iodoazolidine-2,5-dione PubChem CID: 120273 ChEBI: CHEBI:53204 IUPAC Name: 1-iodopyrrolidine-2,5-dione SMILES: IN1C(=O)CCC1=O
2-Chloropyridine, 99%
CAS: 109-09-1 Molecular Formula: C5H4ClN Molecular Weight (g/mol): 113.544 MDL Number: MFCD00006228 InChI Key: OKDGRDCXVWSXDC-UHFFFAOYSA-N Synonym: o-chloropyridine,pyridine, 2-chloro,alpha-chloropyridine,.alpha.-chloropyridine,unii-8hmd45ayej,2-chloro-pyridine,ccris 1724,8hmd45ayej,6-chloro-pyridine,dsstox_cid_4810 PubChem CID: 7977 ChEBI: CHEBI:39174 IUPAC Name: 2-chloropyridine SMILES: C1=CC=NC(=C1)Cl
2-(4-Methylphenyl)-1,3-thiazole-4-carboxylic acid, 97%, Thermo Scientific™
CAS: 17228-99-8 Molecular Formula: C11H8NO2S Molecular Weight (g/mol): 218.25 MDL Number: MFCD01936002 InChI Key: MTVWIZYQYPRZGZ-UHFFFAOYSA-M Synonym: 2-4-methylphenyl-1,3-thiazole-4-carboxylic acid,2-p-tolyl thiazole-4-carboxylic acid,2-4-methylphenyl thiazole-4-carboxylic acid,2-p-tolylthiazole-4-carboxylic acid,2-p-tolyl-thiazole-4-carboxylic acid,4-thiazolecarboxylicacid,2-4-methylphenyl,4-thiazolecarboxylicacid, 2-4-methylphenyl,2-4-methylphenyl-1,3-thiazole-4-carboxylicacid PubChem CID: 2794795 SMILES: CC1=CC=C(C=C1)C1=NC(=CS1)C([O-])=O
(5-Phenylisoxazol-3-yl)methanol, 97%, Thermo Scientific™
CAS: 1619-37-0 Molecular Formula: C10H9NO2 Molecular Weight (g/mol): 175.187 MDL Number: MFCD01444104 InChI Key: BPAFLGGUEBMWRN-UHFFFAOYSA-N PubChem CID: 1481082 IUPAC Name: (5-phenyl-1,2-oxazol-3-yl)methanol SMILES: C1=CC=C(C=C1)C2=CC(=NO2)CO
2,4-Dibromopyridine, 97%, Thermo Scientific Chemicals
CAS: 58530-53-3 Molecular Formula: C5H3Br2N Molecular Weight (g/mol): 236.89 MDL Number: MFCD01859720 InChI Key: PCMMSLVJMKQWMQ-UHFFFAOYSA-N Synonym: 2,4-dibromo-pyridine,pyridine, 2,4-dibromo,2,4-dibrompyridin,pubchem5452,acmc-1av5w,2,4-dibromopyridine,ksc493e4t PubChem CID: 817104 IUPAC Name: 2,4-dibromopyridine SMILES: BrC1=CC=NC(Br)=C1
1,2-Epoxyoctadecane, tech. 85%
CAS: 7390-81-0 Molecular Formula: C18H36O Molecular Weight (g/mol): 268.485 MDL Number: MFCD00005152 InChI Key: QBJWYMFTMJFGOL-UHFFFAOYSA-N Synonym: 1,2-epoxyoctadecane,hexadecyloxirane,oxirane, hexadecyl,octadecane, epoxy,1,2-octadecylene oxide,ccris 2619,oxirane, 2-hexadecyl,#,1,2-epoxy octadecane,acmc-209osu PubChem CID: 23872 IUPAC Name: 2-hexadecyloxirane SMILES: CCCCCCCCCCCCCCCCC1CO1
2-n-Butylfuran, 98%
CAS: 4466-24-4 Molecular Formula: C8H12O Molecular Weight (g/mol): 124.183 MDL Number: MFCD00047071 InChI Key: NWZIYQNUCXUJJJ-UHFFFAOYSA-N Synonym: furan, 2-butyl,2-n-butyl furan,2-n-butylfuran,unii-81jv9zyk0d,81jv9zyk0d,2-butyl furan,2-butyl-furan,2-but-1-yl fura,2-but-1-yl furan,1-fur-2-yl butane PubChem CID: 20534 IUPAC Name: 2-butylfuran SMILES: CCCCC1=CC=CO1
5-Chloro-8-hydroxyquinoline, 95%
CAS: 130-16-5 Molecular Formula: C9H6ClNO Molecular Weight (g/mol): 179.603 MDL Number: MFCD00006788 InChI Key: CTQMJYWDVABFRZ-UHFFFAOYSA-N Synonym: 5-chloro-8-hydroxyquinoline,cloxiquine,cloxyquin,5-chloro-8-quinolinol,dermofongin,5-chlorooxine,8-quinolinol, 5-chloro,chlorisept,dermofungin,5-chloro-8-oxyquinoline PubChem CID: 2817 IUPAC Name: 5-chloroquinolin-8-ol SMILES: C1=CC2=C(C=CC(=C2N=C1)O)Cl
2-Trifluoroacetyl-1,2,3,4-tetrahydroisoquinoline-7-sulfonyl chloride, 99%
CAS: 74291-57-9 Molecular Formula: C11H9ClF3NO3S Molecular Weight (g/mol): 327.70 MDL Number: MFCD01075651 InChI Key: SXIYEBVAQTUBOQ-UHFFFAOYSA-N Synonym: 2-2,2,2-trifluoroacetyl-1,2,3,4-tetrahydroisoquinoline-7-sulfonyl chloride,1,2,3,4-tetrahydro-2-trifluoroacetyl isoquinoline-7-sulfonyl chloride,2-trifluoroacetyl-1,2,3,4-tetrahydroisoquinoline-7-sulfonyl chloride,2-2,2,2-trifluoroacetyl-3,4-dihydro-1h-isoquinoline-7-sulfonyl chloride,1-7-chlorosulfonyl 2-1,2,3,4-tetrahydroisoquinolyl-2,2,2-trifluoroethan-1-one,2-trifluoroacetyl-7-chlorosulfonyl-1,2,3,4-tetrahydroisoquinoline,7-chlorosulfonyl-2-trifluoroacetyl-1,2,3,4-tetrahydroisoquinoline,1,2,3,4-tetrahydro-2-trifluoroacetyl isoquinoline-7-sulfone PubChem CID: 11324902 IUPAC Name: 2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinoline-7-sulfonyl chloride SMILES: FC(F)(F)C(=O)N1CCC2=C(C1)C=C(C=C2)S(Cl)(=O)=O
1-(2-Aminoethyl)piperazine, 98%
CAS: 140-31-8 Molecular Formula: C6H15N3 Molecular Weight (g/mol): 129.21 MDL Number: MFCD00005971 InChI Key: IMUDHTPIFIBORV-UHFFFAOYSA-N Synonym: n-aminoethylpiperazine,n-2-aminoethyl piperazine,1-2-aminoethyl piperazine,2-piperazin-1-yl ethanamine,1-piperazineethanamine,aminoethylpiperazine,1-piperazineethylamine,1-aminoethylpiperazine,piperazineethanamine,piperazine, 1-2-aminoethyl PubChem CID: 8795 IUPAC Name: 2-piperazin-1-ylethanamine SMILES: NCCN1CCNCC1
2-Furonitrile, 98+%
CAS: 617-90-3 Molecular Formula: C5H3NO Molecular Weight (g/mol): 93.09 MDL Number: MFCD00003223 InChI Key: YXDXXGXWFJCXEB-UHFFFAOYSA-N Synonym: 2-furonitrile,2-cyanofuran,2-furancarbonitrile,2-furyl cyanide,unii-2lrk86h722,.alpha.-furyl cyanide,pubchem6961,acmc-209mwb,2-cyanofuran;2-furancarbonitrile PubChem CID: 69245 IUPAC Name: furan-2-carbonitrile SMILES: N#CC1=CC=CO1