Organoheterocyclic compounds
4-(Iodomethyl)tetrahydro-2h-pyran, 97%, Thermo Scientific™
CAS: 101691-94-5 Molecular Formula: C6H11IO Molecular Weight (g/mol): 226.057 InChI Key: MQLFSPBSNWUXSO-UHFFFAOYSA-N Synonym: 4-iodomethyl tetrahydro-2h-pyran,4-iodomethyl oxane,4-iodomethyl-tetrahydro-pyran,4-iodomethyl tetrahydropyran,2h-pyran, tetrahydro-4-iodomethyl,4-iodomethyl-tetrahydro-2h-pyran,2h-pyran,tetrahydro-4-iodomethyl,acmc-20a1ce,4-iodomethyltetrahydropyran,4-iodomethyl-tetrahydropyran PubChem CID: 2795507 IUPAC Name: 4-(iodomethyl)oxane SMILES: C1COCCC1CI
4,5-Dichloro-2-(4-methylphenyl)-2,3-dihydropyridazin-3-one, 97%, Thermo Scientific™
CAS: 33098-21-4 Molecular Formula: C11H8Cl2N2O Molecular Weight (g/mol): 255.098 MDL Number: MFCD00135290 InChI Key: OWPCMQKRJFNLHF-UHFFFAOYSA-N Synonym: 4,5-dichloro-2-4-methylphenyl-2,3-dihydropyridazin-3-one,4,5-dichloro-2-4-methylphenyl pyridazin-3-one,3 2h-pyridazinone,4,5-dichloro-2-4-methylphenyl,4,5-dichloro-2-p-tolyl-2h-pyridazin-3-one,4,5-dichloro-2-4-methylphenyl-2-hydropyridazin-3-one,4,5-dichloro-2-p-tolyl pyridazin-3 2h-one,4,5-dichloro-2-4-methylphenyl-3 2h-pyridazinone,4,5-dichloro-2-4-methylphenyl pyridazin-3 2h-one,4,5-dichloro-2-4-methylphenyl-2,3-dihydropyridazin-3one PubChem CID: 2774757 IUPAC Name: 4,5-dichloro-2-(4-methylphenyl)pyridazin-3-one SMILES: CC1=CC=C(C=C1)N2C(=O)C(=C(C=N2)Cl)Cl
3-Phenylcinnoline-4-carboxylic acid, 97%, Thermo Scientific™
CAS: 10604-21-4 Molecular Formula: C15H10N2O2 Molecular Weight (g/mol): 250.257 MDL Number: MFCD00219795 InChI Key: UGJHDXUWDLKCDG-UHFFFAOYSA-N Synonym: 4-cinnolinecarboxylicacid, 3-phenyl,maybridge1_004872,3-phenyl-cinnoline-4-carboxylic acid PubChem CID: 5709072 IUPAC Name: 3-phenylcinnoline-4-carboxylic acid SMILES: C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N=N2)C(=O)O
4-chloro-1,2-dihydrophthalazin-1-one, 97%, Thermo Scientific™
CAS: 2257-69-4 Molecular Formula: C8H5ClN2O Molecular Weight (g/mol): 180.59 MDL Number: MFCD00102192 InChI Key: QCKGMJDOJRNSMS-UHFFFAOYSA-N Synonym: 4-chlorophthalazin-1 2h-one,4-chloro-1,2-dihydrophthalazin-1-one,4-chlorophthalazin-1-ol,1 2h-phthalazinone, 4-chloro,4-chloro-1 2h-phthalazinone,4-chlorophthalazone,4-chloro-1-phthalazinol,4-chlorophthalazin-1-one,1-chlorophthalazin-4-one,1-chlorophthalazine-4-one PubChem CID: 2775142 IUPAC Name: 4-chloro-2H-phthalazin-1-one SMILES: ClC1=NNC(=O)C2=CC=CC=C12
6-Oxo-1,4,5,6-tetrahydropyridazine-3-carboxylic acid, 97%, Thermo Scientific™
CAS: 27372-38-9 Molecular Formula: C5H6N2O3 Molecular Weight (g/mol): 142.114 MDL Number: MFCD00052030 InChI Key: VUADWGRLHPTYPI-UHFFFAOYSA-N Synonym: 6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxylic acid,1,4,5,6-tetrahydro-6-oxopyridazine-3-carboxylic acid,unii-ot09ztp07e,ot09ztp07e,6-oxo-1,4,5,6-tetrahydro-pyridazine-3-carboxylic acid,3-pyridazinecarboxylic acid, 1,4,5,6-tetrahydro-6-oxo,1,4,5,6-tetrahydro-6-oxo-3-pyridazinecarboxylic acid,6-oxo-1,4,5,6-tetrahydropyridazin-3-carboxylic acid,6-oxo-1,4,5-trihydropyridazine-3-carboxylic acid,pubchem19274 PubChem CID: 99621 IUPAC Name: 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylic acid SMILES: C1CC(=O)NN=C1C(=O)O
6-methyl-2,3-dihydropyridazin-3-one hydrate, Thermo Scientific™
CAS: 7143-82-0 Molecular Formula: C5H6N2O Molecular Weight (g/mol): 110.12 MDL Number: MFCD00039720 InChI Key: QZWIXLPWMGHDDD-UHFFFAOYSA-N Synonym: 6-methylpyridazin-3-ol hydrate,6-methylpyridazin-3 2h-one hydrate,6-methyl-2,3-dihydropyridazin-3-one hydrate,6-methyl-2h-pyridazin-3-one hydrate,6-methylpyridazin-3-one hydrate,3-methyl-1h-pyridazin-6-one hydrate,6-methylpyridazin-3 2h ;-one hydrate,6-methyl-2-hydropyridazin-3-one, hydrate,6-methyl-2,3-dihydropyridazine-3-one hydrate,6-methylpyridazin-3 2h-one-water 1/1 PubChem CID: 2774632 SMILES: CC1=NNC(=O)C=C1
1-Methyl-1H-indol-5-amine, 97%, Thermo Scientific™
CAS: 102308-97-4 Molecular Formula: C9H10N2 Molecular Weight (g/mol): 146.19 MDL Number: MFCD03839873 InChI Key: PGTSGPCXPIFQEL-UHFFFAOYSA-N Synonym: 1-methyl-1h-indol-5-amine,5-amino-1-n-methylindole,1-methyl-1h-indol-5-ylamine,1h-indol-5-amine, 1-methyl,5-amino-1-methylindole,1-methylindole-5-ylamine,1-methyl-5-amino-1h-indole,5-amino-1-methyl-1h-indole,pubchem9381,5-amino-n-methylindole PubChem CID: 2769564 IUPAC Name: 1-methylindol-5-amine SMILES: CN1C=CC2=CC(N)=CC=C12
Benzyl 2-(hydroxymethyl)-1-indolinecarboxylate, ≥95%, Thermo Scientific™
CAS: 135829-04-8 Molecular Formula: C17H17NO3 Molecular Weight (g/mol): 283.327 MDL Number: MFCD02682013 InChI Key: QSMOQTIGILELKY-UHFFFAOYSA-N Synonym: benzyl 2-hydroxymethyl-1-indolinecarboxylate,benzyl 2-hydroxymethyl indoline-1-carboxylate,benzyl 2-hydroxymethyl-2,3-dihydroindole-1-carboxylate,1h-indole-1-carboxylicacid, 2,3-dihydro-2-hydroxymethyl-, phenylmethyl ester,acmc-20c3wg,1-benzyloxycarbonylindoline-2-methanol,+/-1-benzyloxycarbonyl-2-hydroxymethylindoline PubChem CID: 2776402 IUPAC Name: benzyl 2-(hydroxymethyl)-2,3-dihydroindole-1-carboxylate SMILES: C1C(N(C2=CC=CC=C21)C(=O)OCC3=CC=CC=C3)CO
ethyle4-chloro-2-(trifluoromethyl)pyrimidine-5-carboxylate, 97%, Thermo Scientific™
CAS: 720-01-4 Molecular Formula: C8H6ClF3N2O2 Molecular Weight (g/mol): 254.59 MDL Number: MFCD00173897 InChI Key: DSULCDCBENGHAX-UHFFFAOYSA-N Synonym: ethyl 4-chloro-2-trifluoromethyl pyrimidine-5-carboxylate,4-chloro-2-trifluoromethyl-pyrimidine-5-carboxylic acid ethyl ester,5-pyrimidinecarboxylic acid, 4-chloro-2-trifluoromethyl-, ethyl ester,4-chloro-2-trifluoromethyl-pyrimidine-5-carboxylicacidethylester,ethyl 2-trifluoromethyl-4-chloropyrimidine-5-carboxylate,ethyl 4-chloro-2-trifluoromethyl pyrimidine-5-car,ethyl 4-chloro-2-trifluoromethyl-pyrimidine-5-carboxylate,ethyl-4-chloro-2-trifluoromethyl pyrimidine-5-carboxylate,5-pyrimidinecarboxylicacid, 4-chloro-2-trifluoromethyl-, ethyl ester PubChem CID: 2737166 IUPAC Name: ethyl 4-chloro-2-(trifluoromethyl)pyrimidine-5-carboxylate SMILES: CCOC(=O)C1=CN=C(N=C1Cl)C(F)(F)F
2-Phenylpyrimidine-5-carboxylic acid, 97%, Thermo Scientific™
CAS: 122773-97-1 Molecular Formula: C11H8N2O2 Molecular Weight (g/mol): 200.197 MDL Number: MFCD00559612 InChI Key: BOAIYSRFGWBZCF-UHFFFAOYSA-N Synonym: 2-phenyl-5-pyrimidinecarboxylic acid,5-carboxy-2-phenylpyrimidine,5-pyrimidinecarboxylic acid, 2-phenyl,2-phenyl-pyrimidine-5-carboxylic acid,5-pyrimidinecarboxylicacid, 2-phenyl,acmc-1c8my,5-carboxy-2-phenyl-1,3-diazine,2-phenyl pyrimidine-5-carboxylic acid PubChem CID: 747389 IUPAC Name: 2-phenylpyrimidine-5-carboxylic acid SMILES: C1=CC=C(C=C1)C2=NC=C(C=N2)C(=O)O
2-chloropyrimidine-4-carboxylic acid, 97%, Thermo Scientific™
CAS: 149849-92-3 Molecular Formula: C5H3ClN2O2 Molecular Weight (g/mol): 158.541 MDL Number: MFCD06739041 InChI Key: YMDSUQSBJRDYLI-UHFFFAOYSA-N Synonym: 2-chloropyrimidine-4-carboxylicacid,4-pyrimidinecarboxylic acid, 2-chloro,4-carboxy-2-chloropyrimidine,2-chloro-pyrimidine-4-carboxylic acid,2-chloro-4-pyrimidinecarboxylic acid,pubchem21879,acmc-209d3c,ksc497g7f,2-chloropyrimidin-4-carboxylic acid,2-chloro-pyrimidine-4-carboxylicacid PubChem CID: 22135751 IUPAC Name: 2-chloropyrimidine-4-carboxylic acid SMILES: C1=CN=C(N=C1C(=O)O)Cl
5-(2-Furyl)-1H-pyrazole-3-carboxylic acid, 97%, Thermo Scientific™
CAS: 116153-81-2 Molecular Formula: C8H6N2O3 Molecular Weight (g/mol): 178.147 MDL Number: MFCD05170057 InChI Key: GKPSFQIKCROJOB-UHFFFAOYSA-N Synonym: 5-2-furyl-1h-pyrazole-3-carboxylic acid,5-furan-2-yl-1h-pyrazole-3-carboxylic acid,5-furan-2-yl-2h-pyrazole-3-carboxylic acid,3-furan-2-yl-1h-pyrazole-5-carboxylic acid,3-2-furyl-1h-pyrazole-5-carboxylic acid,1h-pyrazole-3-carboxylicacid, 5-2-furanyl,5-2-furyl pyrazole-3-carboxylic acid,acmc-20f1sn,3-2-furyl pyrazole-5-carboxylic acid PubChem CID: 654018 IUPAC Name: 5-(furan-2-yl)-1H-pyrazole-3-carboxylic acid SMILES: C1=COC(=C1)C2=CC(=NN2)C(=O)O
4-(3-Methyl-1,2,4-oxadiazol-5-yl)benzoic acid, 95%, Thermo Scientific™
CAS: 851048-56-1 Molecular Formula: C10H8N2O3 Molecular Weight (g/mol): 204.19 MDL Number: MFCD08741427 InChI Key: KXXLPIJOPGBFTA-UHFFFAOYSA-N Synonym: 4-3-methyl-1,2,4-oxadiazol-5-yl benzoic acid,benzoicacid, 4-3-methyl-1,2,4-oxadiazol-5-yl,benzoic acid, 4-3-methyl-1,2,4-oxadiazol-5-yl,methyloxadiazolylbenzoicacid,4-3-methyl-1,2,4 oxadiazol-5-yl-benzoic acid,4-3-methyl-1,2,4-oxadiazol-5-yl-benzoic acid PubChem CID: 22110111 IUPAC Name: 4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoic acid SMILES: CC1=NOC(=N1)C1=CC=C(C=C1)C(O)=O
1-Benzofuran-5-carboxylic acid, Thermo Scientific™
CAS: 90721-27-0 Molecular Formula: C9H6O3 Molecular Weight (g/mol): 162.14 MDL Number: MFCD01006742 InChI Key: GTWXSZIQNTUNKR-UHFFFAOYSA-N Synonym: benzofuran-5-carboxylic acid,5-benzofurancarboxylic acid,benzo b furan-5-carboxylic acid,1-benzofunan-5-carboxylic acid,benzofurane-5-carboxylic acid,4ctj,pubchem7018,5-benzofuran carboxylic,rarechem al be 1369,5-benzofurancarboxylicacid PubChem CID: 595656 IUPAC Name: 1-benzofuran-5-carboxylic acid SMILES: OC(=O)C1=CC=C2OC=CC2=C1