Organoheterocyclic compounds
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Loratadine, 98+%
CAS: 79794-75-5 Molecular Formula: C22H23ClN2O2 Molecular Weight (g/mol): 382.888 MDL Number: MFCD00672869 InChI Key: JCCNYMKQOSZNPW-UHFFFAOYSA-N Synonym: loratadine,claritin,loratidine,alavert,clarityn,lisino,clarityne,loracert,loradex,bonalerg PubChem CID: 3957 IUPAC Name: ethyl 4-(8-chloro-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridin-11-ylidene)piperidine-1-carboxylate SMILES: CCOC(=O)N1CCC(=C2C3=C(CCC4=C2N=CC=C4)C=C(C=C3)Cl)CC1
| PubChem CID | 3957 |
|---|---|
| CAS | 79794-75-5 |
| Molecular Weight (g/mol) | 382.888 |
| MDL Number | MFCD00672869 |
| SMILES | CCOC(=O)N1CCC(=C2C3=C(CCC4=C2N=CC=C4)C=C(C=C3)Cl)CC1 |
| Synonym | loratadine,claritin,loratidine,alavert,clarityn,lisino,clarityne,loracert,loradex,bonalerg |
| IUPAC Name | ethyl 4-(8-chloro-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridin-11-ylidene)piperidine-1-carboxylate |
| InChI Key | JCCNYMKQOSZNPW-UHFFFAOYSA-N |
| Molecular Formula | C22H23ClN2O2 |
Loratadine, USP, 98.5-101%, Spectrum™ Chemical
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CAS: 79794-75-5 Molecular Formula: C22H23ClN2O2 Molecular Weight (g/mol): 382.89 InChI Key: JCCNYMKQOSZNPW-UHFFFAOYSA-N IUPAC Name: ethyl 4-{13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ylidene}piperidine-1-carboxylate SMILES: CCOC(=O)N1CCC(CC1)=C1C2=CC=C(Cl)C=C2CCC2=CC=CN=C12
| CAS | 79794-75-5 |
|---|---|
| Molecular Weight (g/mol) | 382.89 |
| SMILES | CCOC(=O)N1CCC(CC1)=C1C2=CC=C(Cl)C=C2CCC2=CC=CN=C12 |
| IUPAC Name | ethyl 4-{13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ylidene}piperidine-1-carboxylate |
| InChI Key | JCCNYMKQOSZNPW-UHFFFAOYSA-N |
| Molecular Formula | C22H23ClN2O2 |
5-Azabenzimidazole, 97%
CAS: 272-97-9 Molecular Formula: C6H5N3 Molecular Weight (g/mol): 119.13 MDL Number: MFCD00051808 InChI Key: UBOOKRVGOBKDMM-UHFFFAOYSA-N Synonym: 3h-imidazo 4,5-c pyridine,1h-imidazo 4,5-c pyridine,5-azabenzimidazole,3,5-diazaindole,5h-imidazo 4,5-c pyridine,imidazo 4,5-c pyridine,5-aza-1h-benzoimidazole,5-aza-benzimidazole PubChem CID: 9227 IUPAC Name: 3H-imidazo[4,5-c]pyridine SMILES: N1C=NC2=CC=NC=C12
| PubChem CID | 9227 |
|---|---|
| CAS | 272-97-9 |
| Molecular Weight (g/mol) | 119.13 |
| MDL Number | MFCD00051808 |
| SMILES | N1C=NC2=CC=NC=C12 |
| Synonym | 3h-imidazo 4,5-c pyridine,1h-imidazo 4,5-c pyridine,5-azabenzimidazole,3,5-diazaindole,5h-imidazo 4,5-c pyridine,imidazo 4,5-c pyridine,5-aza-1h-benzoimidazole,5-aza-benzimidazole |
| IUPAC Name | 3H-imidazo[4,5-c]pyridine |
| InChI Key | UBOOKRVGOBKDMM-UHFFFAOYSA-N |
| Molecular Formula | C6H5N3 |
5-Methyl-2-(trifluoromethyl)-3-furyl isocyanate, 97%, Thermo Scientific™
CAS: 306935-03-5 Molecular Formula: C7H4F3NO2 Molecular Weight (g/mol): 191.109 InChI Key: WTKWFNIIIXNTDO-UHFFFAOYSA-N Synonym: 5-methyl-2-trifluoromethyl-3-furyl isocyanate,3-isocyanato-5-methyl-2-trifluoromethyl furan,furan,3-isocyanato-5-methyl-2-trifluoromethyl,5-methyl-2-trifluoromethyl fur-3-yl isocyanate,3-isocyanato-5-methyl-2-trifluoromethyl-furan,5-methyl-2-trifluoromethyl-3-furylisocyanate,5-methyl-2-trifluoromethyl furan-3-isocyanate,furan, 3-isocyanato-5-methyl-2-trifluoromethyl-9ci PubChem CID: 2779896 IUPAC Name: 3-isocyanato-5-methyl-2-(trifluoromethyl)furan SMILES: CC1=CC(=C(O1)C(F)(F)F)N=C=O
| PubChem CID | 2779896 |
|---|---|
| CAS | 306935-03-5 |
| Molecular Weight (g/mol) | 191.109 |
| SMILES | CC1=CC(=C(O1)C(F)(F)F)N=C=O |
| Synonym | 5-methyl-2-trifluoromethyl-3-furyl isocyanate,3-isocyanato-5-methyl-2-trifluoromethyl furan,furan,3-isocyanato-5-methyl-2-trifluoromethyl,5-methyl-2-trifluoromethyl fur-3-yl isocyanate,3-isocyanato-5-methyl-2-trifluoromethyl-furan,5-methyl-2-trifluoromethyl-3-furylisocyanate,5-methyl-2-trifluoromethyl furan-3-isocyanate,furan, 3-isocyanato-5-methyl-2-trifluoromethyl-9ci |
| IUPAC Name | 3-isocyanato-5-methyl-2-(trifluoromethyl)furan |
| InChI Key | WTKWFNIIIXNTDO-UHFFFAOYSA-N |
| Molecular Formula | C7H4F3NO2 |
3-Thiophenemethanol, 97%
CAS: 71637-34-8 Molecular Formula: C5H6OS Molecular Weight (g/mol): 114.16 MDL Number: MFCD00014534 InChI Key: BOWIFWCBNWWZOG-UHFFFAOYSA-N Synonym: 3-thiophenemethanol,3-thienylmethanol,thiophene-3-methanol,3-thiophene methanol,3-hydroxymethylthiophene,thien-3-ylmethanol,thiophen-3-yl methanol,3-thienylmethan-1-ol,3-hydroxymethyl thiophene,3-thiophenylmethanol PubChem CID: 123570 IUPAC Name: thiophen-3-ylmethanol SMILES: OCC1=CSC=C1
| PubChem CID | 123570 |
|---|---|
| CAS | 71637-34-8 |
| Molecular Weight (g/mol) | 114.16 |
| MDL Number | MFCD00014534 |
| SMILES | OCC1=CSC=C1 |
| Synonym | 3-thiophenemethanol,3-thienylmethanol,thiophene-3-methanol,3-thiophene methanol,3-hydroxymethylthiophene,thien-3-ylmethanol,thiophen-3-yl methanol,3-thienylmethan-1-ol,3-hydroxymethyl thiophene,3-thiophenylmethanol |
| IUPAC Name | thiophen-3-ylmethanol |
| InChI Key | BOWIFWCBNWWZOG-UHFFFAOYSA-N |
| Molecular Formula | C5H6OS |
Tri(2-furyl)phosphine, 97%
CAS: 5518-52-5 Molecular Formula: C12H9O3P Molecular Weight (g/mol): 232.18 MDL Number: MFCD00151857 InChI Key: DLQYXUGCCKQSRJ-UHFFFAOYSA-N Synonym: tri 2-furyl phosphine,tri furan-2-yl phosphine,tri-2-furyl phosphine,tris furan-2-yl phosphane,tri-2-furylphosphine,tris 2-furyl phosphine,tri furan-2-yl phosphane,trifurylphosphine,tri fur-2-yl phosphane,tris 2-furanyl phosphine PubChem CID: 521585 IUPAC Name: tris(furan-2-yl)phosphane SMILES: O1C=CC=C1P(C1=CC=CO1)C1=CC=CO1
| PubChem CID | 521585 |
|---|---|
| CAS | 5518-52-5 |
| Molecular Weight (g/mol) | 232.18 |
| MDL Number | MFCD00151857 |
| SMILES | O1C=CC=C1P(C1=CC=CO1)C1=CC=CO1 |
| Synonym | tri 2-furyl phosphine,tri furan-2-yl phosphine,tri-2-furyl phosphine,tris furan-2-yl phosphane,tri-2-furylphosphine,tris 2-furyl phosphine,tri furan-2-yl phosphane,trifurylphosphine,tri fur-2-yl phosphane,tris 2-furanyl phosphine |
| IUPAC Name | tris(furan-2-yl)phosphane |
| InChI Key | DLQYXUGCCKQSRJ-UHFFFAOYSA-N |
| Molecular Formula | C12H9O3P |
5-Cyanoindole, 99%
CAS: 15861-24-2 Molecular Formula: C9H6N2 Molecular Weight (g/mol): 142.16 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
| PubChem CID | 27513 |
|---|---|
| CAS | 15861-24-2 |
| Molecular Weight (g/mol) | 142.16 |
| MDL Number | MFCD00005669 |
| SMILES | C1=CC2=C(C=CN2)C=C1C#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 |
| IUPAC Name | 1H-indole-5-carbonitrile |
| InChI Key | YHYLDEVWYOFIJK-UHFFFAOYSA-N |
| Molecular Formula | C9H6N2 |
5-Methylbenzimidazole, 98%
CAS: 614-97-1 Molecular Formula: C8H8N2 Molecular Weight (g/mol): 132.166 MDL Number: MFCD00010740 InChI Key: RWXZXCZBMQPOBF-UHFFFAOYSA-N Synonym: 5-methylbenzimidazole,5-methyl-1h-benzo d imidazole,1h-benzimidazole, 5-methyl,5-methyl-1h-benzimidazole,benzimidazole, 5-methyl,ethyl 4-cyanophenylalaninate,1h-benzimidazole, 6-methyl,5-methyl-1h-1,3-benzodiazole,6-methyl-1h-1,3-benzodiazole,5mb PubChem CID: 11979 ChEBI: CHEBI:40205 IUPAC Name: 6-methyl-1H-benzimidazole SMILES: CC1=CC2=C(C=C1)N=CN2
| PubChem CID | 11979 |
|---|---|
| CAS | 614-97-1 |
| Molecular Weight (g/mol) | 132.166 |
| ChEBI | CHEBI:40205 |
| MDL Number | MFCD00010740 |
| SMILES | CC1=CC2=C(C=C1)N=CN2 |
| Synonym | 5-methylbenzimidazole,5-methyl-1h-benzo d imidazole,1h-benzimidazole, 5-methyl,5-methyl-1h-benzimidazole,benzimidazole, 5-methyl,ethyl 4-cyanophenylalaninate,1h-benzimidazole, 6-methyl,5-methyl-1h-1,3-benzodiazole,6-methyl-1h-1,3-benzodiazole,5mb |
| IUPAC Name | 6-methyl-1H-benzimidazole |
| InChI Key | RWXZXCZBMQPOBF-UHFFFAOYSA-N |
| Molecular Formula | C8H8N2 |
7-Bromoimidazo[1,2-a]pyridine, 95%, Thermo Scientific Chemicals
CAS: 808744-34-5 Molecular Formula: C7H5BrN2 Molecular Weight (g/mol): 197.035 MDL Number: MFCD07778353 InChI Key: OASOJRLJBDCVNU-UHFFFAOYSA-N Synonym: 7-bromoimidazo 1,2-a pyridine,7-bromo-imidazo 1,2-a pyridine,imidazo 1,2-a pyridine, 7-bromo,7-bromoh-imidazo 1,2-a pyridine,pubchem22087,acmc-209pkg,7-bromanylimidazo 1,2-a pyridine,7-bromo-imidazol 1,2-a pyridine,7-bromo-imidazo-1,2-a-pyridine PubChem CID: 15098903 IUPAC Name: 7-bromoimidazo[1,2-a]pyridine SMILES: C1=CN2C=CN=C2C=C1Br
| PubChem CID | 15098903 |
|---|---|
| CAS | 808744-34-5 |
| Molecular Weight (g/mol) | 197.035 |
| MDL Number | MFCD07778353 |
| SMILES | C1=CN2C=CN=C2C=C1Br |
| Synonym | 7-bromoimidazo 1,2-a pyridine,7-bromo-imidazo 1,2-a pyridine,imidazo 1,2-a pyridine, 7-bromo,7-bromoh-imidazo 1,2-a pyridine,pubchem22087,acmc-209pkg,7-bromanylimidazo 1,2-a pyridine,7-bromo-imidazol 1,2-a pyridine,7-bromo-imidazo-1,2-a-pyridine |
| IUPAC Name | 7-bromoimidazo[1,2-a]pyridine |
| InChI Key | OASOJRLJBDCVNU-UHFFFAOYSA-N |
| Molecular Formula | C7H5BrN2 |
Imidazo[1,2-a]pyridine, 99%
CAS: 274-76-0 Molecular Formula: C7H6N2 Molecular Weight (g/mol): 118.14 MDL Number: MFCD00005553 InChI Key: UTCSSFWDNNEEBH-UHFFFAOYSA-N Synonym: imidazo 1,2-a pyridine,unii-g18zbv2hxa,1h-imidazo 1,2-a pyridine,g18zbv2hxa,pyrimidazole,1-azaindolizine,1,3a-diazaindene,pubchem17181,imidazo l,2-a pyridine PubChem CID: 78960 IUPAC Name: imidazo[1,2-a]pyridine SMILES: C1=CN2C=CC=CC2=N1
| PubChem CID | 78960 |
|---|---|
| CAS | 274-76-0 |
| Molecular Weight (g/mol) | 118.14 |
| MDL Number | MFCD00005553 |
| SMILES | C1=CN2C=CC=CC2=N1 |
| Synonym | imidazo 1,2-a pyridine,unii-g18zbv2hxa,1h-imidazo 1,2-a pyridine,g18zbv2hxa,pyrimidazole,1-azaindolizine,1,3a-diazaindene,pubchem17181,imidazo l,2-a pyridine |
| IUPAC Name | imidazo[1,2-a]pyridine |
| InChI Key | UTCSSFWDNNEEBH-UHFFFAOYSA-N |
| Molecular Formula | C7H6N2 |
Imidazo[1,2-a]pyridine-6-carbonyl chloride hydrochloride , Tech., Thermo Scientific™
CAS: 859833-15-1 Molecular Formula: C8H6Cl2N2O Molecular Weight (g/mol): 217.049 MDL Number: MFCD07772809 InChI Key: LHLAJCRPSZDOFF-UHFFFAOYSA-N Synonym: imidazo 1,2-a pyridine-6-carbonyl chloride hydrochloride,imidazo 1,2-a pyridine-6-carbonylchloride, hydrochloride 1:1,4-hydroimidazo 1,2-a pyridine-6-carbonyl chloride, chloride,imidazo 1,2-a pyridine-6-carbonyl chloride-hydrogen chloride 1/1 PubChem CID: 18525720 IUPAC Name: imidazo[1,2-a]pyridine-6-carbonyl chloride;hydrochloride SMILES: C1=CC2=NC=CN2C=C1C(=O)Cl.Cl
| PubChem CID | 18525720 |
|---|---|
| CAS | 859833-15-1 |
| Molecular Weight (g/mol) | 217.049 |
| MDL Number | MFCD07772809 |
| SMILES | C1=CC2=NC=CN2C=C1C(=O)Cl.Cl |
| Synonym | imidazo 1,2-a pyridine-6-carbonyl chloride hydrochloride,imidazo 1,2-a pyridine-6-carbonylchloride, hydrochloride 1:1,4-hydroimidazo 1,2-a pyridine-6-carbonyl chloride, chloride,imidazo 1,2-a pyridine-6-carbonyl chloride-hydrogen chloride 1/1 |
| IUPAC Name | imidazo[1,2-a]pyridine-6-carbonyl chloride;hydrochloride |
| InChI Key | LHLAJCRPSZDOFF-UHFFFAOYSA-N |
| Molecular Formula | C8H6Cl2N2O |
4-Azabenzimidazole, 98%
CAS: 273-21-2 Molecular Formula: C6H5N3 Molecular Weight (g/mol): 119.13 MDL Number: MFCD00005579,MFCD01646138 InChI Key: GAMYYCRTACQSBR-UHFFFAOYSA-N Synonym: 3h-imidazo 4,5-b pyridine,4-azabenzimidazole,1h-imidazo 4,5-b pyridine,1-deazapurine,3,4-diazaindole,7-azabenzimidazole,imidazopyridine,4h-imidazo 4,5-b pyridine,pyrido 2,3-d imidazole,azabenzimidazole PubChem CID: 67504 ChEBI: CHEBI:59952 IUPAC Name: 1H-imidazo[4,5-b]pyridine SMILES: N1C=NC2=NC=CC=C12
| PubChem CID | 67504 |
|---|---|
| CAS | 273-21-2 |
| Molecular Weight (g/mol) | 119.13 |
| ChEBI | CHEBI:59952 |
| MDL Number | MFCD00005579,MFCD01646138 |
| SMILES | N1C=NC2=NC=CC=C12 |
| Synonym | 3h-imidazo 4,5-b pyridine,4-azabenzimidazole,1h-imidazo 4,5-b pyridine,1-deazapurine,3,4-diazaindole,7-azabenzimidazole,imidazopyridine,4h-imidazo 4,5-b pyridine,pyrido 2,3-d imidazole,azabenzimidazole |
| IUPAC Name | 1H-imidazo[4,5-b]pyridine |
| InChI Key | GAMYYCRTACQSBR-UHFFFAOYSA-N |
| Molecular Formula | C6H5N3 |
3-Aminoimidazo[1,2-a]pyridine, 97%, Thermo Scientific Chemicals
CAS: 28036-33-1 Molecular Formula: C7H7N3 Molecular Weight (g/mol): 133.154 MDL Number: MFCD06660421 InChI Key: RTOFMMILZZGGNS-UHFFFAOYSA-N Synonym: imidazo 1,2-a pyridin-3-amine,3-aminoimidazo 1,2-a pyridine,3-amino-imidazo 1,2-a pyridine,acmc-20an9p,imidazopyridinamine,imidazo 1,2-a pyridin-3-ylamine,4-hydroimidazo 1,2-a pyridine-3-ylamine PubChem CID: 432221 IUPAC Name: imidazo[1,2-a]pyridin-3-amine SMILES: C1=CC2=NC=C(N2C=C1)N
| PubChem CID | 432221 |
|---|---|
| CAS | 28036-33-1 |
| Molecular Weight (g/mol) | 133.154 |
| MDL Number | MFCD06660421 |
| SMILES | C1=CC2=NC=C(N2C=C1)N |
| Synonym | imidazo 1,2-a pyridin-3-amine,3-aminoimidazo 1,2-a pyridine,3-amino-imidazo 1,2-a pyridine,acmc-20an9p,imidazopyridinamine,imidazo 1,2-a pyridin-3-ylamine,4-hydroimidazo 1,2-a pyridine-3-ylamine |
| IUPAC Name | imidazo[1,2-a]pyridin-3-amine |
| InChI Key | RTOFMMILZZGGNS-UHFFFAOYSA-N |
| Molecular Formula | C7H7N3 |
Imidazo[1,2-a]pyridin-6-ylmethanol, 97%, Thermo Scientific™
CAS: 132213-07-1 Molecular Formula: C8H8N2O Molecular Weight (g/mol): 148.165 InChI Key: IEOADZOTWIMSMC-UHFFFAOYSA-N Synonym: imidazo 1,2-a pyridin-6-ylmethanol,6-hydroxymethyl imidazo 1,2-a pyridine,imidazo 1,2-a pyridine-6-methanol,imidazo 1,2-a pyridin-6-yl-methanol,imidazo 1,2-a pyridin-6-yl methanol,acmc-209zmz,imidazo 1,2-a pyridin-6yl methanol,6-hydroxymethyl imidazo 1,2-a pyridin,4-hydroimidazo 1,2-a pyridin-6-ylmethan-1-ol PubChem CID: 7060530 IUPAC Name: imidazo[1,2-a]pyridin-6-ylmethanol SMILES: C1=CC2=NC=CN2C=C1CO
| PubChem CID | 7060530 |
|---|---|
| CAS | 132213-07-1 |
| Molecular Weight (g/mol) | 148.165 |
| SMILES | C1=CC2=NC=CN2C=C1CO |
| Synonym | imidazo 1,2-a pyridin-6-ylmethanol,6-hydroxymethyl imidazo 1,2-a pyridine,imidazo 1,2-a pyridine-6-methanol,imidazo 1,2-a pyridin-6-yl-methanol,imidazo 1,2-a pyridin-6-yl methanol,acmc-209zmz,imidazo 1,2-a pyridin-6yl methanol,6-hydroxymethyl imidazo 1,2-a pyridin,4-hydroimidazo 1,2-a pyridin-6-ylmethan-1-ol |
| IUPAC Name | imidazo[1,2-a]pyridin-6-ylmethanol |
| InChI Key | IEOADZOTWIMSMC-UHFFFAOYSA-N |
| Molecular Formula | C8H8N2O |
Benzo[b]thiophene, 98+%
CAS: 95-15-8 Molecular Formula: C8H6S Molecular Weight (g/mol): 134.196 MDL Number: MFCD00005864 InChI Key: FCEHBMOGCRZNNI-UHFFFAOYSA-N Synonym: benzo b thiophene,thianaphthene,benzothiophene,benzothiofuran,thionaphthene,1-thiaindene,thianaphthen,benzothiophen,thianaphtene,1-benzothiophen PubChem CID: 7221 ChEBI: CHEBI:35858 IUPAC Name: 1-benzothiophene SMILES: C1=CC=C2C(=C1)C=CS2
| PubChem CID | 7221 |
|---|---|
| CAS | 95-15-8 |
| Molecular Weight (g/mol) | 134.196 |
| ChEBI | CHEBI:35858 |
| MDL Number | MFCD00005864 |
| SMILES | C1=CC=C2C(=C1)C=CS2 |
| Synonym | benzo b thiophene,thianaphthene,benzothiophene,benzothiofuran,thionaphthene,1-thiaindene,thianaphthen,benzothiophen,thianaphtene,1-benzothiophen |
| IUPAC Name | 1-benzothiophene |
| InChI Key | FCEHBMOGCRZNNI-UHFFFAOYSA-N |
| Molecular Formula | C8H6S |