Organoheterocyclic compounds
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6,9-Diamino-2-ethoxyacridine lactate monohydrate, 95%, Thermo Scientific Chemicals
CAS: 6402-23-9 Molecular Formula: C3H6O3·H2O Molecular Weight (g/mol): 361.39 MDL Number: MFCD00149646 InChI Key: NYEPHMYJRNWPLA-UHFFFAOYSA-N Synonym: ethacridine lactate monohydrate,ethodin,ethacridine lactate hydrate,ethacridine lactate salt,dsstox_cid_26274,dsstox_rid_81501,dsstox_gsid_46274,7-ethoxyacridine-3,9-diamine; 2-hydroxypropanoic acid; hydrate,rivanol monohydrate PubChem CID: 165457 IUPAC Name: 7-ethoxyacridine-3,9-diamine;2-hydroxypropanoic acid;hydrate SMILES: CCOC1=CC2=C(C3=C(C=C(C=C3)N)N=C2C=C1)N.CC(C(=O)O)O.O
| PubChem CID | 165457 |
|---|---|
| CAS | 6402-23-9 |
| Molecular Weight (g/mol) | 361.39 |
| MDL Number | MFCD00149646 |
| SMILES | CCOC1=CC2=C(C3=C(C=C(C=C3)N)N=C2C=C1)N.CC(C(=O)O)O.O |
| Synonym | ethacridine lactate monohydrate,ethodin,ethacridine lactate hydrate,ethacridine lactate salt,dsstox_cid_26274,dsstox_rid_81501,dsstox_gsid_46274,7-ethoxyacridine-3,9-diamine; 2-hydroxypropanoic acid; hydrate,rivanol monohydrate |
| IUPAC Name | 7-ethoxyacridine-3,9-diamine;2-hydroxypropanoic acid;hydrate |
| InChI Key | NYEPHMYJRNWPLA-UHFFFAOYSA-N |
| Molecular Formula | C3H6O3·H2O |
2-Ethoxy-1-ethoxycarbonyl-1,2-dihydroquinoline, 99%
CAS: 16357-59-8 Molecular Formula: C14H17NO3 Molecular Weight (g/mol): 247.29 MDL Number: MFCD00006703 InChI Key: GKQLYSROISKDLL-UHFFFAOYNA-N Synonym: eedq,2-ethoxy-1-ethoxycarbonyl-1,2-dihydroquinoline,n-ethoxycarbonyl-2-ethoxy-1,2-dihydroquinoline,ethyl 2-ethoxyquinoline-1 2h-carboxylate,1-ethoxycarbonyl-2-ethoxy-1,2-dihydroquinoline,2-ethoxy-1 2h-quinolinecarboxylic acid, ethyl ester,1 2h-quinolinecarboxylic acid, 2-ethoxy-, ethyl ester,ethyl 2-ethoxy-1,2-dihydroquinoline-1-carboxylate,ethyl 1,2-dihydro-2-ethoxy-1-quinolinecarboxylate,ethyl n-2-ethoxy-1,2-dihydroquinoline carboxylate PubChem CID: 27833 IUPAC Name: ethyl 2-ethoxy-2H-quinoline-1-carboxylate SMILES: CCOC1C=CC2=CC=CC=C2N1C(=O)OCC
| PubChem CID | 27833 |
|---|---|
| CAS | 16357-59-8 |
| Molecular Weight (g/mol) | 247.29 |
| MDL Number | MFCD00006703 |
| SMILES | CCOC1C=CC2=CC=CC=C2N1C(=O)OCC |
| Synonym | eedq,2-ethoxy-1-ethoxycarbonyl-1,2-dihydroquinoline,n-ethoxycarbonyl-2-ethoxy-1,2-dihydroquinoline,ethyl 2-ethoxyquinoline-1 2h-carboxylate,1-ethoxycarbonyl-2-ethoxy-1,2-dihydroquinoline,2-ethoxy-1 2h-quinolinecarboxylic acid, ethyl ester,1 2h-quinolinecarboxylic acid, 2-ethoxy-, ethyl ester,ethyl 2-ethoxy-1,2-dihydroquinoline-1-carboxylate,ethyl 1,2-dihydro-2-ethoxy-1-quinolinecarboxylate,ethyl n-2-ethoxy-1,2-dihydroquinoline carboxylate |
| IUPAC Name | ethyl 2-ethoxy-2H-quinoline-1-carboxylate |
| InChI Key | GKQLYSROISKDLL-UHFFFAOYNA-N |
| Molecular Formula | C14H17NO3 |
7-Methoxy-2,2,4-trimethyl-1,2-dihydroquinoline, 95%, Thermo Scientific Chemicals
CAS: 1810-74-8 Molecular Formula: C13H17NO Molecular Weight (g/mol): 203.285 MDL Number: MFCD00627122 InChI Key: VNIQAUZZZWOJPT-UHFFFAOYSA-N Synonym: 7-methoxy-2,2,4-trimethyl-1,2-dihydroquinoline,2,2,4-trimethyl-7-methoxy-1,2-dihydroquinoline,quinoline, 1,2-dihydro-7-methoxy-2,2,4-trimethyl,1,2-dihydro-2,2,4-trimethyl-7-methoxyquinoline,1,2-dihydro-7-methoxy-2,2,4-trimethylquinoline,7-methoxy-2,2,4-trimethyl-1,2-dihydro-quinoline,quinoline, 7-methoxy-2,2,4-trimethyl-1,2-dihydro PubChem CID: 643478 IUPAC Name: 7-methoxy-2,2,4-trimethyl-1H-quinoline SMILES: CC1=CC(NC2=C1C=CC(=C2)OC)(C)C
| PubChem CID | 643478 |
|---|---|
| CAS | 1810-74-8 |
| Molecular Weight (g/mol) | 203.285 |
| MDL Number | MFCD00627122 |
| SMILES | CC1=CC(NC2=C1C=CC(=C2)OC)(C)C |
| Synonym | 7-methoxy-2,2,4-trimethyl-1,2-dihydroquinoline,2,2,4-trimethyl-7-methoxy-1,2-dihydroquinoline,quinoline, 1,2-dihydro-7-methoxy-2,2,4-trimethyl,1,2-dihydro-2,2,4-trimethyl-7-methoxyquinoline,1,2-dihydro-7-methoxy-2,2,4-trimethylquinoline,7-methoxy-2,2,4-trimethyl-1,2-dihydro-quinoline,quinoline, 7-methoxy-2,2,4-trimethyl-1,2-dihydro |
| IUPAC Name | 7-methoxy-2,2,4-trimethyl-1H-quinoline |
| InChI Key | VNIQAUZZZWOJPT-UHFFFAOYSA-N |
| Molecular Formula | C13H17NO |
2,8-Bis(trifluoromethyl)-4-quinolinol, 99%, Thermo Scientific™
CAS: 35853-41-9 Molecular Formula: C11H5F6NO Molecular Weight (g/mol): 281.15 MDL Number: MFCD00075091 InChI Key: JIWHKBAFGFPZKM-UHFFFAOYSA-N Synonym: 2,8-bis trifluoromethyl-4-hydroxyquinoline,2,8-bis trifluoromethyl quinolin-4-ol,2,8-bis trifluoromethyl-4-quinolinol,2,8-bis trifluoromethyl-1h-quinolin-4-one,2,8-bis-trifluoromethyl-quinolin-4-ol,cc-pmlsc-dma-p104,4-quinolinol, 2,8-bis trifluoromethyl,2,8-bis trifluoromethyl-4-hydroxy quinoleine,2,8-di trifluoromethyl quinolin-4-ol,pubchem5934 PubChem CID: 736140 IUPAC Name: 2,8-bis(trifluoromethyl)-1H-quinolin-4-one SMILES: C1=CC2=C(C(=C1)C(F)(F)F)NC(=CC2=O)C(F)(F)F
| PubChem CID | 736140 |
|---|---|
| CAS | 35853-41-9 |
| Molecular Weight (g/mol) | 281.15 |
| MDL Number | MFCD00075091 |
| SMILES | C1=CC2=C(C(=C1)C(F)(F)F)NC(=CC2=O)C(F)(F)F |
| Synonym | 2,8-bis trifluoromethyl-4-hydroxyquinoline,2,8-bis trifluoromethyl quinolin-4-ol,2,8-bis trifluoromethyl-4-quinolinol,2,8-bis trifluoromethyl-1h-quinolin-4-one,2,8-bis-trifluoromethyl-quinolin-4-ol,cc-pmlsc-dma-p104,4-quinolinol, 2,8-bis trifluoromethyl,2,8-bis trifluoromethyl-4-hydroxy quinoleine,2,8-di trifluoromethyl quinolin-4-ol,pubchem5934 |
| IUPAC Name | 2,8-bis(trifluoromethyl)-1H-quinolin-4-one |
| InChI Key | JIWHKBAFGFPZKM-UHFFFAOYSA-N |
| Molecular Formula | C11H5F6NO |
| Percent Purity | ≥98% (HPLC) |
|---|---|
| CAS | 54-16-0 |
| MDL Number | MFCD00005639 |
| Synonym | 5-HIAA |
| RTECS Number | NL3650000 |
| Recommended Storage | -20°C |
| Grade | Analytical Standard |
| Shelf Life | Limited shelf life, expiry date on the label |
| Molecular Formula | C10H9NO3 |
| Formula Weight | 191.18 |
| Melting Point | 161°C to 164°C (literature) |
Thiamine, Hydrochloride, MP Biomedicals
CAS: 67-03-8 Molecular Formula: C12H18Cl2N4OS Molecular Weight (g/mol): 337.263 InChI Key: DPJRMOMPQZCRJU-UHFFFAOYSA-M Synonym: thiamine hydrochloride,vitamin b1 hydrochloride,thiamine hcl,aneurine hydrochloride,berin,thiamine chloride hydrochloride,trophite,thiamin chloride,thiamine dichloride,thiaminium chloride PubChem CID: 6202 ChEBI: CHEBI:49105 IUPAC Name: 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;chloride;hydrochloride SMILES: CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.Cl.[Cl-]
| PubChem CID | 6202 |
|---|---|
| CAS | 67-03-8 |
| Molecular Weight (g/mol) | 337.263 |
| ChEBI | CHEBI:49105 |
| SMILES | CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.Cl.[Cl-] |
| Synonym | thiamine hydrochloride,vitamin b1 hydrochloride,thiamine hcl,aneurine hydrochloride,berin,thiamine chloride hydrochloride,trophite,thiamin chloride,thiamine dichloride,thiaminium chloride |
| IUPAC Name | 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;chloride;hydrochloride |
| InChI Key | DPJRMOMPQZCRJU-UHFFFAOYSA-M |
| Molecular Formula | C12H18Cl2N4OS |
Methyl 5-bromo-2-furoate, 98%
CAS: 2527-99-3 Molecular Formula: C6H5BrO3 Molecular Weight (g/mol): 205.01 MDL Number: MFCD00092313 InChI Key: FBPIDMAELBIRLE-UHFFFAOYSA-N Synonym: methyl 5-bromo-2-furoate,methyl 5-bromo-2-furancarboxylate,5-bromo-2-furoic acid methyl ester,2-furancarboxylic acid, 5-bromo-, methyl ester,5-bromo-2-furancarboxylic acid methyl ester,5-bromofuran-2-carboxylic acid methyl ester,methyl 5-bromofuroate,2-furoic acid, 5-bromo-, methyl ester,methyl 5-bromo-furanate,maybridge1_004996 PubChem CID: 599633 IUPAC Name: methyl 5-bromofuran-2-carboxylate SMILES: COC(=O)C1=CC=C(O1)Br
| PubChem CID | 599633 |
|---|---|
| CAS | 2527-99-3 |
| Molecular Weight (g/mol) | 205.01 |
| MDL Number | MFCD00092313 |
| SMILES | COC(=O)C1=CC=C(O1)Br |
| Synonym | methyl 5-bromo-2-furoate,methyl 5-bromo-2-furancarboxylate,5-bromo-2-furoic acid methyl ester,2-furancarboxylic acid, 5-bromo-, methyl ester,5-bromo-2-furancarboxylic acid methyl ester,5-bromofuran-2-carboxylic acid methyl ester,methyl 5-bromofuroate,2-furoic acid, 5-bromo-, methyl ester,methyl 5-bromo-furanate,maybridge1_004996 |
| IUPAC Name | methyl 5-bromofuran-2-carboxylate |
| InChI Key | FBPIDMAELBIRLE-UHFFFAOYSA-N |
| Molecular Formula | C6H5BrO3 |
4-Methyloxazole-5-carbonyl chloride, 97%, Thermo Scientific™
CAS: 62348-24-7 Molecular Formula: C5H4ClNO2 Molecular Weight (g/mol): 145.54 MDL Number: MFCD06200856 InChI Key: YPKNOSGIABPXKS-UHFFFAOYSA-N Synonym: 4-methyloxazole-5-carbonyl chloride,5-oxazolecarbonyl chloride, 4-methyl,4-methyloxazole-5-carbonylchloride,4-methyl-5-oxazolecarbonyl chloride,4-methyl oxazole-5-carbonyl chloride,4-methyl-oxazole-5-carbonyl chloride,4-methyl-oxazole-5-carbonyl-chloride,4-methyloxazole-5-carboxylic acid chloride,5-oxazolecarbonyl chloride, 4-methyl-9ci PubChem CID: 2795217 IUPAC Name: 4-methyl-1,3-oxazole-5-carbonyl chloride SMILES: CC1=C(OC=N1)C(Cl)=O
| PubChem CID | 2795217 |
|---|---|
| CAS | 62348-24-7 |
| Molecular Weight (g/mol) | 145.54 |
| MDL Number | MFCD06200856 |
| SMILES | CC1=C(OC=N1)C(Cl)=O |
| Synonym | 4-methyloxazole-5-carbonyl chloride,5-oxazolecarbonyl chloride, 4-methyl,4-methyloxazole-5-carbonylchloride,4-methyl-5-oxazolecarbonyl chloride,4-methyl oxazole-5-carbonyl chloride,4-methyl-oxazole-5-carbonyl chloride,4-methyl-oxazole-5-carbonyl-chloride,4-methyloxazole-5-carboxylic acid chloride,5-oxazolecarbonyl chloride, 4-methyl-9ci |
| IUPAC Name | 4-methyl-1,3-oxazole-5-carbonyl chloride |
| InChI Key | YPKNOSGIABPXKS-UHFFFAOYSA-N |
| Molecular Formula | C5H4ClNO2 |
Ethyl 2-chlorooxazole-4-carboxylate, 95%, Thermo Scientific Chemicals
CAS: 460081-18-9 Molecular Formula: C6H6ClNO3 Molecular Weight (g/mol): 175.568 MDL Number: MFCD06660120 InChI Key: SYWQOPRAPDMWMC-UHFFFAOYSA-N PubChem CID: 2763184 IUPAC Name: ethyl 2-chloro-1,3-oxazole-4-carboxylate SMILES: CCOC(=O)C1=COC(=N1)Cl
| PubChem CID | 2763184 |
|---|---|
| CAS | 460081-18-9 |
| Molecular Weight (g/mol) | 175.568 |
| MDL Number | MFCD06660120 |
| SMILES | CCOC(=O)C1=COC(=N1)Cl |
| IUPAC Name | ethyl 2-chloro-1,3-oxazole-4-carboxylate |
| InChI Key | SYWQOPRAPDMWMC-UHFFFAOYSA-N |
| Molecular Formula | C6H6ClNO3 |
4-(1,3-Oxazol-5-yl)aniline, 97%, Thermo Scientific™
CAS: 1008-95-3 Molecular Formula: C9H8N2O Molecular Weight (g/mol): 160.176 MDL Number: MFCD00052192 InChI Key: SLJBMRSOKUTXDF-UHFFFAOYSA-N PubChem CID: 517747 IUPAC Name: 4-(1,3-oxazol-5-yl)aniline SMILES: C1=CC(=CC=C1C2=CN=CO2)N
| PubChem CID | 517747 |
|---|---|
| CAS | 1008-95-3 |
| Molecular Weight (g/mol) | 160.176 |
| MDL Number | MFCD00052192 |
| SMILES | C1=CC(=CC=C1C2=CN=CO2)N |
| IUPAC Name | 4-(1,3-oxazol-5-yl)aniline |
| InChI Key | SLJBMRSOKUTXDF-UHFFFAOYSA-N |
| Molecular Formula | C9H8N2O |
5,5'-Dimethyl-2,2'-bithiophene, 99%
CAS: 16303-58-5 Molecular Formula: C10H10S2 Molecular Weight (g/mol): 194.32 MDL Number: MFCD01927313 InChI Key: DKHDQTBBXQMFPP-UHFFFAOYSA-N Synonym: 5,5'-dimethyl-2,2'-bithiophene,5,5'-dimethyl-2,2'-bithiophenyl,2-methyl-5-5-methylthiophen-2-yl thiophene,2,2'-bi 5-methylthiophene,2,2'-bithiophene,5,5'-dimethyl,5,5'-dimethyl-2,2' bithiophenyl,5-methyl-2-5-methyl 2-thienyl thiophene PubChem CID: 284486 IUPAC Name: 2-methyl-5-(5-methylthiophen-2-yl)thiophene SMILES: CC1=CC=C(S1)C2=CC=C(S2)C
| PubChem CID | 284486 |
|---|---|
| CAS | 16303-58-5 |
| Molecular Weight (g/mol) | 194.32 |
| MDL Number | MFCD01927313 |
| SMILES | CC1=CC=C(S1)C2=CC=C(S2)C |
| Synonym | 5,5'-dimethyl-2,2'-bithiophene,5,5'-dimethyl-2,2'-bithiophenyl,2-methyl-5-5-methylthiophen-2-yl thiophene,2,2'-bi 5-methylthiophene,2,2'-bithiophene,5,5'-dimethyl,5,5'-dimethyl-2,2' bithiophenyl,5-methyl-2-5-methyl 2-thienyl thiophene |
| IUPAC Name | 2-methyl-5-(5-methylthiophen-2-yl)thiophene |
| InChI Key | DKHDQTBBXQMFPP-UHFFFAOYSA-N |
| Molecular Formula | C10H10S2 |
6,8-Dibromoimidazo[1,2-a]pyrazine, 95%, Thermo Scientific Chemicals
CAS: 63744-22-9 Molecular Formula: C6H3Br2N3 Molecular Weight (g/mol): 276.92 MDL Number: MFCD08460056 InChI Key: UQCZZGIPIMJBCL-UHFFFAOYSA-N Synonym: 6,8-dibromoimidazo 1,2-a pyrazine,imidazo 1,2-a pyrazine, 6,8-dibromo,6,8-dibromo-imidazo 1,2-a pyrazine,6,8-dibromoimidazol 1,2-a pyrazine,pubchem14656,acmc-1b8pv,ksc351o9d,buttpark 180\02-82,6,8 dibromoimidazo 1,2-a pyrazine,6,8-dibomoimidazo 1,2-a pyrazine PubChem CID: 15025843 IUPAC Name: 6,8-dibromoimidazo[1,2-a]pyrazine SMILES: BrC1=CN2C=CN=C2C(Br)=N1
| PubChem CID | 15025843 |
|---|---|
| CAS | 63744-22-9 |
| Molecular Weight (g/mol) | 276.92 |
| MDL Number | MFCD08460056 |
| SMILES | BrC1=CN2C=CN=C2C(Br)=N1 |
| Synonym | 6,8-dibromoimidazo 1,2-a pyrazine,imidazo 1,2-a pyrazine, 6,8-dibromo,6,8-dibromo-imidazo 1,2-a pyrazine,6,8-dibromoimidazol 1,2-a pyrazine,pubchem14656,acmc-1b8pv,ksc351o9d,buttpark 180\02-82,6,8 dibromoimidazo 1,2-a pyrazine,6,8-dibomoimidazo 1,2-a pyrazine |
| IUPAC Name | 6,8-dibromoimidazo[1,2-a]pyrazine |
| InChI Key | UQCZZGIPIMJBCL-UHFFFAOYSA-N |
| Molecular Formula | C6H3Br2N3 |
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
| PubChem CID | 284123 |
|---|---|
| CAS | 2207-32-1 |
| Molecular Weight (g/mol) | 170.61 |
| MDL Number | MFCD00174269 |
| SMILES | ClC1=CC2=NSN=C2C=C1 |
| 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 |
| IUPAC Name | 5-chloro-2,1,3-benzothiadiazole |
| InChI Key | VRNJWKISMWDTAY-UHFFFAOYSA-N |
| Molecular Formula | C6H3ClN2S |
2,1,3-Benzothiadiazol-5-yl isothiocyanate, 97%, Thermo Scientific™
CAS: 337508-62-0 Molecular Formula: C7H3N3S2 Molecular Weight (g/mol): 193.242 MDL Number: MFCD02681895 InChI Key: HHDWFDQYUFKNCO-UHFFFAOYSA-N PubChem CID: 2776292 IUPAC Name: 5-isothiocyanato-2,1,3-benzothiadiazole SMILES: C1=CC2=NSN=C2C=C1N=C=S
| PubChem CID | 2776292 |
|---|---|
| CAS | 337508-62-0 |
| Molecular Weight (g/mol) | 193.242 |
| MDL Number | MFCD02681895 |
| SMILES | C1=CC2=NSN=C2C=C1N=C=S |
| IUPAC Name | 5-isothiocyanato-2,1,3-benzothiadiazole |
| InChI Key | HHDWFDQYUFKNCO-UHFFFAOYSA-N |
| Molecular Formula | C7H3N3S2 |