Organoheterocyclic compounds
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1,3-Benzothiazol-5-amine, 97%, Thermo Scientific™
CAS: 1123-93-9 Molecular Formula: C7H6N2S Molecular Weight (g/mol): 150.20 MDL Number: MFCD04115282 InChI Key: UJZYHMZRXGNDFB-UHFFFAOYSA-N Synonym: 5-benzothiazolamine,benzothiazol-5-ylamine,benzo d thiazol-5-amine,benzothiazol-5-amine,5-amino-1,3-benzothiazole,5-aminobenzothiazole,1,3-benzothiazole-5-amine,1,3-benzothiazol-5-ylamine,5-amino-1,3-benzothiazol,5-amino-benzothiazole PubChem CID: 70749 IUPAC Name: 1,3-benzothiazol-5-amine SMILES: NC1=CC=C2SC=NC2=C1
| PubChem CID | 70749 |
|---|---|
| CAS | 1123-93-9 |
| Molecular Weight (g/mol) | 150.20 |
| MDL Number | MFCD04115282 |
| SMILES | NC1=CC=C2SC=NC2=C1 |
| Synonym | 5-benzothiazolamine,benzothiazol-5-ylamine,benzo d thiazol-5-amine,benzothiazol-5-amine,5-amino-1,3-benzothiazole,5-aminobenzothiazole,1,3-benzothiazole-5-amine,1,3-benzothiazol-5-ylamine,5-amino-1,3-benzothiazol,5-amino-benzothiazole |
| IUPAC Name | 1,3-benzothiazol-5-amine |
| InChI Key | UJZYHMZRXGNDFB-UHFFFAOYSA-N |
| Molecular Formula | C7H6N2S |
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
| PubChem CID | 34295 |
|---|---|
| CAS | 632-16-6 |
| Molecular Weight (g/mol) | 112.19 |
| MDL Number | MFCD00130081 |
| SMILES | CC1=C(C)C=CS1 |
| Synonym | thiophene, 2,3-dimethyl,2,3-dimethyl-thiophene,2,3,dimethylthiophene,pubchem7751,2.3-dimethylthiophene,dimethylthiophene,2,3-dirnethylthiophene |
| IUPAC Name | 2,3-dimethylthiophene |
| InChI Key | BZYUMXXOAYSFOW-UHFFFAOYSA-N |
| Molecular Formula | C6H8S |
Tetrahydropalmatine, 98%
CAS: 2934-97-6 Molecular Formula: C21H25NO4 Molecular Weight (g/mol): 355.434 MDL Number: MFCD00214191 InChI Key: AEQDJSLRWYMAQI-UHFFFAOYSA-N Synonym: tetrahydropalmatine,rotundine,tetrahydropalmatin,rotundinum,2,3,9,10-tetramethoxy-5,8,13,13a-tetrahydro-6h-isoquino 3,2-a isoquinoline,corydalis b,6h-dibenzo a,g quinolizine, 5,8,13,13a-tetrahydro-2,3,9,10-tetramethoxy,gnf-pf-3943,tetrahydropalmatine hydrochloride,2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5h-isoquinolino 2,1-b isoquinoline PubChem CID: 5417 IUPAC Name: 2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline SMILES: COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
| PubChem CID | 5417 |
|---|---|
| CAS | 2934-97-6 |
| Molecular Weight (g/mol) | 355.434 |
| MDL Number | MFCD00214191 |
| SMILES | COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC |
| Synonym | tetrahydropalmatine,rotundine,tetrahydropalmatin,rotundinum,2,3,9,10-tetramethoxy-5,8,13,13a-tetrahydro-6h-isoquino 3,2-a isoquinoline,corydalis b,6h-dibenzo a,g quinolizine, 5,8,13,13a-tetrahydro-2,3,9,10-tetramethoxy,gnf-pf-3943,tetrahydropalmatine hydrochloride,2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5h-isoquinolino 2,1-b isoquinoline |
| IUPAC Name | 2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline |
| InChI Key | AEQDJSLRWYMAQI-UHFFFAOYSA-N |
| Molecular Formula | C21H25NO4 |
(S)-1,2,3,4-Tetrahydroisoquinolylmethan-3-ol, 98%, Thermo Scientific™
CAS: 18881-17-9 Molecular Formula: C10H13NO Molecular Weight (g/mol): 163.22 MDL Number: MFCD01631316 InChI Key: ZSKDXMLMMQFHGW-JTQLQIEISA-N Synonym: s-1,2,3,4-tetrahydroisoquinoline-3-methanol,3s-1,2,3,4-tetrahydroisoquinolin-3-ylmethanol,s-1,2,3,4-tetrahydroisoquinolin-3-yl methanol,3s-1,2,3,4-tetrahydroisoquinolin-3-yl methanol,chembl61489,s-1,2,3,4-tetrahydroisoquinolin-3-yl-methanol,s---1,2,3,4-tetrahydro-3-isoquinolinemethanol,s-3-hydroxymethyl-1,2,3,4-tetrahydroisoquinoline,3-isoquinolinemethanol, 1,2,3,4-tetrahydro-, s,s-1,2,3,4-tetrahydroisoquinolylmethan-3-ol PubChem CID: 776757 IUPAC Name: [(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol SMILES: C1C(NCC2=CC=CC=C21)CO
| PubChem CID | 776757 |
|---|---|
| CAS | 18881-17-9 |
| Molecular Weight (g/mol) | 163.22 |
| MDL Number | MFCD01631316 |
| SMILES | C1C(NCC2=CC=CC=C21)CO |
| Synonym | s-1,2,3,4-tetrahydroisoquinoline-3-methanol,3s-1,2,3,4-tetrahydroisoquinolin-3-ylmethanol,s-1,2,3,4-tetrahydroisoquinolin-3-yl methanol,3s-1,2,3,4-tetrahydroisoquinolin-3-yl methanol,chembl61489,s-1,2,3,4-tetrahydroisoquinolin-3-yl-methanol,s---1,2,3,4-tetrahydro-3-isoquinolinemethanol,s-3-hydroxymethyl-1,2,3,4-tetrahydroisoquinoline,3-isoquinolinemethanol, 1,2,3,4-tetrahydro-, s,s-1,2,3,4-tetrahydroisoquinolylmethan-3-ol |
| IUPAC Name | [(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol |
| InChI Key | ZSKDXMLMMQFHGW-JTQLQIEISA-N |
| Molecular Formula | C10H13NO |
3-Methylfuran, 98%
CAS: 930-27-8 Molecular Formula: C5H6O Molecular Weight (g/mol): 82.1 MDL Number: MFCD00060134 InChI Key: KJRRQXYWFQKJIP-UHFFFAOYSA-N Synonym: furan, 3-methyl,3-methylfurane,3-methyl furan,3-methyl-furan,3-methyl-fura,3-methylfuran,pubchem19993,3-methylfuran-methyl-d3,acmc-20an04,3-methylfuran 1gr PubChem CID: 13587 IUPAC Name: 3-methylfuran SMILES: CC1=COC=C1
| PubChem CID | 13587 |
|---|---|
| CAS | 930-27-8 |
| Molecular Weight (g/mol) | 82.1 |
| MDL Number | MFCD00060134 |
| SMILES | CC1=COC=C1 |
| Synonym | furan, 3-methyl,3-methylfurane,3-methyl furan,3-methyl-furan,3-methyl-fura,3-methylfuran,pubchem19993,3-methylfuran-methyl-d3,acmc-20an04,3-methylfuran 1gr |
| IUPAC Name | 3-methylfuran |
| InChI Key | KJRRQXYWFQKJIP-UHFFFAOYSA-N |
| Molecular Formula | C5H6O |
4,5-Dicyanoimidazole, 98+%
CAS: 1122-28-7 Molecular Formula: C5H2N4 Molecular Weight (g/mol): 118.10 MDL Number: MFCD00005194 InChI Key: XGDRLCRGKUCBQL-UHFFFAOYSA-N PubChem CID: 70729 IUPAC Name: 1H-imidazole-4,5-dicarbonitrile SMILES: N#CC1=C(N=CN1)C#N
| PubChem CID | 70729 |
|---|---|
| CAS | 1122-28-7 |
| Molecular Weight (g/mol) | 118.10 |
| MDL Number | MFCD00005194 |
| SMILES | N#CC1=C(N=CN1)C#N |
| IUPAC Name | 1H-imidazole-4,5-dicarbonitrile |
| InChI Key | XGDRLCRGKUCBQL-UHFFFAOYSA-N |
| Molecular Formula | C5H2N4 |
6-Quinoxalinamine, 97%, Thermo Scientific™
CAS: 6298-37-9 Molecular Formula: C8H7N3 Molecular Weight (g/mol): 145.17 MDL Number: MFCD00462821 InChI Key: MSGRFBKVMUKEGZ-UHFFFAOYSA-N Synonym: 6-aminoquinoxaline,6-quinoxalinamine,6-quinoxalinylamine,quinoxalin-6-ylamine,quinoxaline-6-ylamine,6-chinoxalinamin,6-amino-quinoxaline,pubchem15453,quinoxalin, 6-amino PubChem CID: 237859 IUPAC Name: quinoxalin-6-amine SMILES: NC1=CC=C2N=CC=NC2=C1
| PubChem CID | 237859 |
|---|---|
| CAS | 6298-37-9 |
| Molecular Weight (g/mol) | 145.17 |
| MDL Number | MFCD00462821 |
| SMILES | NC1=CC=C2N=CC=NC2=C1 |
| Synonym | 6-aminoquinoxaline,6-quinoxalinamine,6-quinoxalinylamine,quinoxalin-6-ylamine,quinoxaline-6-ylamine,6-chinoxalinamin,6-amino-quinoxaline,pubchem15453,quinoxalin, 6-amino |
| IUPAC Name | quinoxalin-6-amine |
| InChI Key | MSGRFBKVMUKEGZ-UHFFFAOYSA-N |
| Molecular Formula | C8H7N3 |
2,4,6-Tri(2-pyridyl)-s-triazine, 99%
CAS: 3682-35-7 Molecular Formula: C18H12N6 Molecular Weight (g/mol): 312.34 MDL Number: MFCD00006045 InChI Key: KMVWNDHKTPHDMT-UHFFFAOYSA-N Synonym: 2,4,6-tripyridyl-s-triazine,2,4,6-tris 2-pyridyl-s-triazine,2,4,6-tri 2-pyridyl-1,3,5-triazine,terpyridyl-s-triazine,2,4,6-tri 2-pyridyl-s-triazine,tptz iron reagent,1,3,5-triazine, 2,4,6-tri-2-pyridinyl,tri-2-pyridyl-s-triazine,s-triazine, tri-2-pyridyl,2,4,6-tris 2-pyridyl-1,3,5-triazine PubChem CID: 77258 SMILES: C1=CC=C(N=C1)C1=NC(=NC(=N1)C1=CC=CC=N1)C1=CC=CC=N1
| PubChem CID | 77258 |
|---|---|
| CAS | 3682-35-7 |
| Molecular Weight (g/mol) | 312.34 |
| MDL Number | MFCD00006045 |
| SMILES | C1=CC=C(N=C1)C1=NC(=NC(=N1)C1=CC=CC=N1)C1=CC=CC=N1 |
| Synonym | 2,4,6-tripyridyl-s-triazine,2,4,6-tris 2-pyridyl-s-triazine,2,4,6-tri 2-pyridyl-1,3,5-triazine,terpyridyl-s-triazine,2,4,6-tri 2-pyridyl-s-triazine,tptz iron reagent,1,3,5-triazine, 2,4,6-tri-2-pyridinyl,tri-2-pyridyl-s-triazine,s-triazine, tri-2-pyridyl,2,4,6-tris 2-pyridyl-1,3,5-triazine |
| InChI Key | KMVWNDHKTPHDMT-UHFFFAOYSA-N |
| Molecular Formula | C18H12N6 |
1,3,4-Triphenyl-4,5-dihydro-1H-1,2,4-triazol-5-ylidene
CAS: 166773-08-6 Molecular Formula: C20H15N3 Molecular Weight (g/mol): 297.36 MDL Number: MFCD00801868 InChI Key: QZHWOLKBXYORRO-UHFFFAOYSA-N Synonym: 2,4,5-triphenyl-4h-1,2,4-triazol-2-ium-3-ide,1,3,4-triphenyl-4,5-dihydro-1h-1,2,4-triazol-5-ylidene,1?3?4-triphenyl-4?5-dihydro-1h-1?2?4-triazol-5-ylidene PubChem CID: 2733186 SMILES: C1=CC=C(C=C1)C2=N[N+](=[C-]N2C3=CC=CC=C3)C4=CC=CC=C4
| PubChem CID | 2733186 |
|---|---|
| CAS | 166773-08-6 |
| Molecular Weight (g/mol) | 297.36 |
| MDL Number | MFCD00801868 |
| SMILES | C1=CC=C(C=C1)C2=N[N+](=[C-]N2C3=CC=CC=C3)C4=CC=CC=C4 |
| Synonym | 2,4,5-triphenyl-4h-1,2,4-triazol-2-ium-3-ide,1,3,4-triphenyl-4,5-dihydro-1h-1,2,4-triazol-5-ylidene,1?3?4-triphenyl-4?5-dihydro-1h-1?2?4-triazol-5-ylidene |
| InChI Key | QZHWOLKBXYORRO-UHFFFAOYSA-N |
| Molecular Formula | C20H15N3 |
2,4,6-Tris(2-pyridyl)-s-triazine, For Spectrophotometric Det. of Fe, 98%, MilliporeSigma™ Supelco™
CAS: 3682-35-7 Molecular Formula: C18H12N6 Molecular Weight (g/mol): 312.34 MDL Number: MFCD00006045 InChI Key: KMVWNDHKTPHDMT-UHFFFAOYSA-N Synonym: 2,4,6-Tri(2-pyridyl)-s-triazine; TPTZ IUPAC Name: tris(pyridin-2-yl)-1,3,5-triazine SMILES: C1=CC=C(N=C1)C1=NC(=NC(=N1)C1=CC=CC=N1)C1=CC=CC=N1
| CAS | 3682-35-7 |
|---|---|
| Molecular Weight (g/mol) | 312.34 |
| MDL Number | MFCD00006045 |
| SMILES | C1=CC=C(N=C1)C1=NC(=NC(=N1)C1=CC=CC=N1)C1=CC=CC=N1 |
| Synonym | 2,4,6-Tri(2-pyridyl)-s-triazine; TPTZ |
| IUPAC Name | tris(pyridin-2-yl)-1,3,5-triazine |
| InChI Key | KMVWNDHKTPHDMT-UHFFFAOYSA-N |
| Molecular Formula | C18H12N6 |
3-Thien-3-ylaniline, ≥97%, Thermo Scientific™
CAS: 161886-96-0 Molecular Formula: C10H9NS Molecular Weight (g/mol): 175.25 MDL Number: MFCD06740169 InChI Key: SHUODWYRFVFGOA-UHFFFAOYSA-N Synonym: 3-thien-3-ylaniline,3-thiophen-3-yl aniline,3-3-aminophenyl thiophene,3-thiophen-3-yl-phenylamine,3-3-thienyl aniline,3-3-thienyl phenylamine,3-thiophen-3-ylphenylamine,benzenamine,3-3-thienyl,3-thiophen-3-yl benzenamine,benzenamine, 3-3-thienyl PubChem CID: 4130337 SMILES: NC1=CC=CC(=C1)C1=CSC=C1
| PubChem CID | 4130337 |
|---|---|
| CAS | 161886-96-0 |
| Molecular Weight (g/mol) | 175.25 |
| MDL Number | MFCD06740169 |
| SMILES | NC1=CC=CC(=C1)C1=CSC=C1 |
| Synonym | 3-thien-3-ylaniline,3-thiophen-3-yl aniline,3-3-aminophenyl thiophene,3-thiophen-3-yl-phenylamine,3-3-thienyl aniline,3-3-thienyl phenylamine,3-thiophen-3-ylphenylamine,benzenamine,3-3-thienyl,3-thiophen-3-yl benzenamine,benzenamine, 3-3-thienyl |
| InChI Key | SHUODWYRFVFGOA-UHFFFAOYSA-N |
| Molecular Formula | C10H9NS |
Pyrazine, 98%
CAS: 290-37-9 Molecular Formula: C4H4N2 Molecular Weight (g/mol): 80.09 MDL Number: MFCD00006122 InChI Key: KYQCOXFCLRTKLS-UHFFFAOYSA-N Synonym: 1,4-diazine,p-diazine,paradiazine,piazine,1,4-diazabenzene,pyrazin,ccris 1331,1,4-diazin,mixture,mu-pyrazine; PubChem CID: 9261 ChEBI: CHEBI:30953 IUPAC Name: pyrazine SMILES: C1=CN=CC=N1
| PubChem CID | 9261 |
|---|---|
| CAS | 290-37-9 |
| Molecular Weight (g/mol) | 80.09 |
| ChEBI | CHEBI:30953 |
| MDL Number | MFCD00006122 |
| SMILES | C1=CN=CC=N1 |
| Synonym | 1,4-diazine,p-diazine,paradiazine,piazine,1,4-diazabenzene,pyrazin,ccris 1331,1,4-diazin,mixture,mu-pyrazine; |
| IUPAC Name | pyrazine |
| InChI Key | KYQCOXFCLRTKLS-UHFFFAOYSA-N |
| Molecular Formula | C4H4N2 |
Pyrimidine, 99%
CAS: 289-95-2 Molecular Formula: C4H4N2 Molecular Weight (g/mol): 80.09 MDL Number: MFCD00006059 InChI Key: CZPWVGJYEJSRLH-UHFFFAOYSA-N Synonym: 1,3-diazine,metadiazine,m-diazine,miazine,1,3-diazabenzene,base,1,3-diazin,pyrimidin,unii-k8cxk5q32l,k8cxk5q32l PubChem CID: 9260 ChEBI: CHEBI:16898 IUPAC Name: pyrimidine SMILES: C1=CN=CN=C1
| PubChem CID | 9260 |
|---|---|
| CAS | 289-95-2 |
| Molecular Weight (g/mol) | 80.09 |
| ChEBI | CHEBI:16898 |
| MDL Number | MFCD00006059 |
| SMILES | C1=CN=CN=C1 |
| Synonym | 1,3-diazine,metadiazine,m-diazine,miazine,1,3-diazabenzene,base,1,3-diazin,pyrimidin,unii-k8cxk5q32l,k8cxk5q32l |
| IUPAC Name | pyrimidine |
| InChI Key | CZPWVGJYEJSRLH-UHFFFAOYSA-N |
| Molecular Formula | C4H4N2 |
2,3-Dimethylquinoxaline, 97%
CAS: 2379-55-7 Molecular Formula: C10H10N2 Molecular Weight (g/mol): 158.204 MDL Number: MFCD00006728 InChI Key: FKHNZQFCDGOQGV-UHFFFAOYSA-N PubChem CID: 16925 IUPAC Name: 2,3-dimethylquinoxaline SMILES: CC1=NC2=CC=CC=C2N=C1C
| PubChem CID | 16925 |
|---|---|
| CAS | 2379-55-7 |
| Molecular Weight (g/mol) | 158.204 |
| MDL Number | MFCD00006728 |
| SMILES | CC1=NC2=CC=CC=C2N=C1C |
| IUPAC Name | 2,3-dimethylquinoxaline |
| InChI Key | FKHNZQFCDGOQGV-UHFFFAOYSA-N |
| Molecular Formula | C10H10N2 |
(R)-N-Boc-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, 98%
CAS: 115962-35-1 Molecular Formula: C15H18NO4 Molecular Weight (g/mol): 276.31 MDL Number: MFCD00143818 InChI Key: HFPVZPNLMJDJFB-GFCCVEGCSA-M Synonym: boc-d-tic-oh,r-2-tert-butoxycarbonyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,boc-d-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,n-boc-d-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,3r-2-tert-butoxy carbonyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,r---n-boc-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid,3r-2-tert-butoxycarbonyl-3,4-dihydro-1h-isoquinoline-3-carboxylic acid,r---2-tertbutoxycarbonyl-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid,boc-d-tic,ambotzbaa1055 PubChem CID: 688607 IUPAC Name: (3R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid SMILES: CC(C)(C)OC(=O)N1CC2=CC=CC=C2C[C@@H]1C([O-])=O
| PubChem CID | 688607 |
|---|---|
| CAS | 115962-35-1 |
| Molecular Weight (g/mol) | 276.31 |
| MDL Number | MFCD00143818 |
| SMILES | CC(C)(C)OC(=O)N1CC2=CC=CC=C2C[C@@H]1C([O-])=O |
| Synonym | boc-d-tic-oh,r-2-tert-butoxycarbonyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,boc-d-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,n-boc-d-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,3r-2-tert-butoxy carbonyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,r---n-boc-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid,3r-2-tert-butoxycarbonyl-3,4-dihydro-1h-isoquinoline-3-carboxylic acid,r---2-tertbutoxycarbonyl-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid,boc-d-tic,ambotzbaa1055 |
| IUPAC Name | (3R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid |
| InChI Key | HFPVZPNLMJDJFB-GFCCVEGCSA-M |
| Molecular Formula | C15H18NO4 |