Organoheterocyclic compounds
4-(Trifluoromethyl)nicotinic acid, 98%
CAS: 158063-66-2 Molecular Formula: C7H4F3NO2 Molecular Weight (g/mol): 191.11 MDL Number: MFCD00082626 InChI Key: LMRJHNFECNKDKH-UHFFFAOYSA-N Synonym: 4-trifluoromethyl nicotinic acid,4-trifluoromethyl pyridine-3-carboxylic acid,tfna,3-pyridinecarboxylic acid, 4-trifluoromethyl,4-trifluoromethyl-nicotinic acid,4-trifluoromethylnicotinic acid,3-carboxy-4-trifluoromethyl pyridine,4-trifluoromethyl-3-pyridinecarboxylic acid,maybridge1_006267 PubChem CID: 2777549 IUPAC Name: 4-(trifluoromethyl)pyridine-3-carboxylic acid SMILES: OC(=O)C1=C(C=CN=C1)C(F)(F)F
5-Amino-1H-benzotriazole, 96%
CAS: 3325-11-9 Molecular Formula: C6H6N4 Molecular Weight (g/mol): 134.14 MDL Number: MFCD00047209 InChI Key: XSFHICWNEBCMNN-UHFFFAOYSA-N Synonym: 5-aminobenzotriazole,1h-1,2,3-benzotriazol-5-amine,1h-benzotriazol-6-amine,1h-benzotriazol-5-amine,5-amino-1h-benzotriazole,2h-benzo d 1,2,3 triazol-5-amine,1h-benzo d 1,2,3 triazol-5-amine,benzotriazole-5-ylamine,3h-1,2,3-benzotriazol-5-amine,5-amino benzotriazole PubChem CID: 76844 IUPAC Name: 2H-benzotriazol-5-amine SMILES: C1=CC2=NNN=C2C=C1N
4-(1H-Pyrrol-1-yl)aniline, 97%, Thermo Scientific™
CAS: 52768-17-9 Molecular Formula: C10H10N2 Molecular Weight (g/mol): 158.204 MDL Number: MFCD01934575 InChI Key: NHLHWHRXMZZWGA-UHFFFAOYSA-N Synonym: 4-1h-pyrrol-1-yl aniline,4-1-pyrrolyl aniline,4-pyrrol-1-yl aniline,benzenamine, 4-1h-pyrrol-1-yl,4-pyrrol-1-yl-phenylamine,4-pyrrolylphenylamine,1-p-amino-phenylazole,4-pyrrol-1-yl-aniline,1-4-aminophenyl pyrrole,1-4-amino-phenyl pyrrole PubChem CID: 2795457 IUPAC Name: 4-pyrrol-1-ylaniline SMILES: C1=CN(C=C1)C2=CC=C(C=C2)N
5-Chlorobenzo-2,1,3-thiadiazole, 98%
CAS: 2207-32-1 Molecular Formula: C6H3ClN2S Molecular Weight (g/mol): 170.61 MDL Number: MFCD00174269 InChI Key: VRNJWKISMWDTAY-UHFFFAOYSA-N Synonym: 5-chlorobenzo c 1,2,5 thiadiazole,5-chlorobenzo-2,1,3-thiadiazole,2,1,3-benzothiadiazole, 5-chloro,5-chlorobenzo c 1,2,5-thiadiazole,acmc-1cipd,maybridge1_004942,5-chloranyl-2,1,3-benzothiadiazole,3-chloro-8-thia-7,9-diazabicyclo 4.3.0 nona-2,4,6,9-tetraene PubChem CID: 284123 IUPAC Name: 5-chloro-2,1,3-benzothiadiazole SMILES: ClC1=CC2=NSN=C2C=C1
5-Amino-2-methylbenzothiazole, 99%
CAS: 13382-43-9 Molecular Formula: C8H8N2S Molecular Weight (g/mol): 164.23 MDL Number: MFCD00226291 InChI Key: GPWQHYMVUZYWIK-UHFFFAOYSA-N Synonym: 2-methylbenzo d thiazol-5-amine,5-amino-2-methylbenzothiazole,5-benzothiazolamine, 2-methyl,2-methyl-5-benzothiazolamine,2-methyl-5-aminobenzothiazole,2-methylbenzothiazole-5-ylamine,2-methyl-1,3-benzothiazol-5-ylamine,acmc-209v5w,cambridge id 5107842,2-methylbenzothiazol-5-amine PubChem CID: 36229 IUPAC Name: 2-methyl-1,3-benzothiazol-5-amine SMILES: CC1=NC2=CC(N)=CC=C2S1
4-Amino-2,3,5,6-tetrafluoropyridine, 98%, Thermo Scientific Chemicals
CAS: 1682-20-8 Molecular Formula: C5H2F4N2 Molecular Weight (g/mol): 166.079 MDL Number: MFCD00010855 InChI Key: PLVFNMQHMRRBAA-UHFFFAOYSA-N Synonym: 4-amino-2,3,5,6-tetrafluoropyridine,4-aminotetrafluoropyridine,tetrafluoropyridin-4-amine,2,3,5,6-tetrafluoro-4-pyridinamine,2,3,5,6-tetrafluoro-4-pyridylamine,pubchem2992,acmc-1bzbr,4-amino-tetrafluoropyridine,4-amino-2,3,5,6-tetrafluorropyridine,4-pyridinamine, 2,3,5,6-tetrafluoro PubChem CID: 1270911 IUPAC Name: 2,3,5,6-tetrafluoropyridin-4-amine SMILES: C1(=C(C(=NC(=C1F)F)F)F)N
Indomethacin, 98%
CAS: 53-86-1 Molecular Formula: C19H16ClNO4 Molecular Weight (g/mol): 357.79 MDL Number: MFCD00057095 InChI Key: CGIGDMFJXJATDK-UHFFFAOYSA-N Synonym: indomethacin,indometacin,indocin,indometacine,indomethacine,indocid,metindol,amuno,indomethazine,imbrilon PubChem CID: 3715 ChEBI: CHEBI:49662 IUPAC Name: 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid SMILES: CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O
2,3-Dimethylthiophene, 97%
CAS: 632-16-6 Molecular Formula: C6H8S Molecular Weight (g/mol): 112.19 MDL Number: MFCD00130081 InChI Key: BZYUMXXOAYSFOW-UHFFFAOYSA-N Synonym: thiophene, 2,3-dimethyl,2,3-dimethyl-thiophene,2,3,dimethylthiophene,pubchem7751,2.3-dimethylthiophene,dimethylthiophene,2,3-dirnethylthiophene PubChem CID: 34295 IUPAC Name: 2,3-dimethylthiophene SMILES: CC1=C(C)C=CS1
1,2,3,4-Tetrahydro-6,7-isoquinolinediol hydrobromide, 98%, Thermo Scientific™
CAS: 52768-23-7 Molecular Formula: C9H12NO2 Molecular Weight (g/mol): 166.20 MDL Number: MFCD00078115 InChI Key: MBFUSGLXKQWVDW-UHFFFAOYSA-O Synonym: 1,2,3,4-tetrahydroisoquinoline-6,7-diol hydrobromide,1,2,3,4-tetrahydro-6,7-isoquinolinediol hydrobromide,1,2,3,4-tetrahydro isoquinoline-6,7-diol hydrobromide,norsalsolinol hydrobromide,1,2,3,4-tetrahydroisoquinoline-6,7-diol, bromide,1,2,3,4-tetrahydroisoquinoline-6,7-diol hcl,6,7-dihydroxytetrahydroisoquinoline hydrobromide,6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline hydrobromide,6,7-dihydroxy-1,2,3,4-tetrahydroisoquinolinehydrobromide,6,7-isoquinolinediol, 1,2,3,4-tetrahydro-, hydrobromide PubChem CID: 2724460 IUPAC Name: 1,2,3,4-tetrahydroisoquinoline-6,7-diol;hydrobromide SMILES: OC1=CC2=C(C[NH2+]CC2)C=C1O
2-Chloro-3-(trifluoromethyl)pyridine, 97%, Thermo Scientific™
CAS: 65753-47-1 Molecular Formula: C6H3ClF3N Molecular Weight (g/mol): 181.54 InChI Key: RXATZPCCMYMPME-UHFFFAOYSA-N Synonym: 2-chloro-3-trifluoromethyl pyridine,2-chloro-3-trifluoro methylpyridine,pyridine, 2-chloro-3-trifluoromethyl,2,3-ctf,2-chloro-3-trifluoromethyl-pyridine,3-trifluoromethyl-2-chloropyridine,zlchem 248,pubchem2399,acmc-1bejp,ksc352q1t PubChem CID: 589833 IUPAC Name: 2-chloro-3-(trifluoromethyl)pyridine SMILES: C1=CC(=C(N=C1)Cl)C(F)(F)F
6-Methylquinoline, 98%
CAS: 91-62-3 Molecular Formula: C10H9N Molecular Weight (g/mol): 143.19 MDL Number: MFCD00006804 InChI Key: LUYISICIYVKBTA-UHFFFAOYSA-N Synonym: quinoline, 6-methyl,p-toluquinoline,6-methyl-quinoline,tolliquinoline, p,ccris 407,fema no. 2744,quinoline, 6-methyl-8ci,9ci,dsstox_cid_887,dsstox_rid_75844,dsstox_gsid_20887 PubChem CID: 7059 IUPAC Name: 6-methylquinoline SMILES: CC1=CC=C2N=CC=CC2=C1
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
4-Fluoro-7-nitrobenzofurazan, 98%
CAS: 29270-56-2 Molecular Formula: C6H2FN3O3 Molecular Weight (g/mol): 183.1 MDL Number: MFCD00010196 InChI Key: PGZIDERTDJHJFY-UHFFFAOYSA-N Synonym: 4-fluoro-7-nitrobenzofurazan,nbd-f,4-fluoro-7-nitrobenzo c 1,2,5 oxadiazole,7-fluoro-4-nitrobenzofurazan,7-fluoro-4-nitrobenzo-2-oxa-1,3-diazole,4-fluoro-7-nitrobenz-2-oxa-1,3-diazole,2,1,3-benzoxadiazole, 4-fluoro-7-nitro,nbd-fluoride,nbd-f cpd,4-fluoro-7-nitrobenzo c 1,2,5-oxadiazole PubChem CID: 122123 IUPAC Name: 4-fluoro-7-nitro-2,1,3-benzoxadiazole SMILES: C1=C(C2=NON=C2C(=C1)F)[N+](=O)[O-]
4-Amino-3-pyridinemethanol, 95%
CAS: 138116-34-4 Molecular Formula: C6H8N2O Molecular Weight (g/mol): 124.143 MDL Number: MFCD06203066 InChI Key: WNBVEYMTVDMSFZ-UHFFFAOYSA-N Synonym: 4-aminopyridin-3-yl methanol,4-amino-pyridin-3-yl-methanol,4-aminopyridine-3-methanol,4-amino-3-pyridinemethanol,3-pyridinemethanol, 4-amino,4-amino-3-hydroxymethylpyridine,4-amino-3-pyridyl methan-1-ol,4-amino-3-pyridinyl methanol,rarechem al bd 1386,acmc-1c1ii PubChem CID: 10796739 IUPAC Name: (4-aminopyridin-3-yl)methanol SMILES: C1=CN=CC(=C1N)CO
Ornidazole, 99%
CAS: 16773-42-5 Molecular Formula: C7H10ClN3O3 Molecular Weight (g/mol): 219.625 MDL Number: MFCD00057960 InChI Key: IPWKIXLWTCNBKN-UHFFFAOYSA-N Synonym: ornidazole,madelen,tiberal,ornidazolum,1-3-chloro-2-hydroxypropyl-2-methyl-5-nitroimidazole,ornidazol,1-chloro-3-2-methyl-5-nitro-1h-imidazol-1-yl propan-2-ol,1-chloro-3-2-methyl-5-nitro-1h-imidazol-1-yl-2-propanol,ornidal,1-2-hydroxy-3-chloropropyl-2-methyl-5-nitroimidazole PubChem CID: 28061 ChEBI: CHEBI:75176 IUPAC Name: 1-chloro-3-(2-methyl-5-nitroimidazol-1-yl)propan-2-ol SMILES: CC1=NC=C(N1CC(CCl)O)[N+](=O)[O-]