Organoheterocyclic compounds
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Thermo Scientific Chemicals Tinidazole
CAS: 19387-91-8 Molecular Formula: C8H13N3O4S Molecular Weight (g/mol): 247.27 MDL Number: MFCD00057217 InChI Key: HJLSLZFTEKNLFI-UHFFFAOYSA-N IUPAC Name: 1-[2-(ethanesulfonyl)ethyl]-2-methyl-5-nitro-1H-imidazole SMILES: CCS(=O)(=O)CCN1C(C)=NC=C1[N+]([O-])=O
| CAS | 19387-91-8 |
|---|---|
| Molecular Weight (g/mol) | 247.27 |
| MDL Number | MFCD00057217 |
| SMILES | CCS(=O)(=O)CCN1C(C)=NC=C1[N+]([O-])=O |
| IUPAC Name | 1-[2-(ethanesulfonyl)ethyl]-2-methyl-5-nitro-1H-imidazole |
| InChI Key | HJLSLZFTEKNLFI-UHFFFAOYSA-N |
| Molecular Formula | C8H13N3O4S |
5-Amino-1-methyl-1H-pyrazole, 97%
CAS: 1192-21-8 Molecular Formula: C4H7N3 Molecular Weight (g/mol): 97.12 InChI Key: JESRNIJXVIFVOV-UHFFFAOYSA-N Synonym: 1-methyl-1h-pyrazol-5-amine,1-methyl-1h-pyrazol-5-ylamine,1-methyl-5-aminopyrazole,5-amino-1-methylpyrazole,5-amino-1-methyl-1h-pyrazole,1h-pyrazol-5-amine, 1-methyl,2-methyl-2h-pyrazol-3-ylamine,5-amino-1-methyl-pyrazole,2-methyl-2h-pyrazol-3-amine,1-methylpyrazole-5-ylamine PubChem CID: 136927 IUPAC Name: 2-methylpyrazol-3-amine SMILES: CN1C(=CC=N1)N
| PubChem CID | 136927 |
|---|---|
| CAS | 1192-21-8 |
| Molecular Weight (g/mol) | 97.12 |
| SMILES | CN1C(=CC=N1)N |
| Synonym | 1-methyl-1h-pyrazol-5-amine,1-methyl-1h-pyrazol-5-ylamine,1-methyl-5-aminopyrazole,5-amino-1-methylpyrazole,5-amino-1-methyl-1h-pyrazole,1h-pyrazol-5-amine, 1-methyl,2-methyl-2h-pyrazol-3-ylamine,5-amino-1-methyl-pyrazole,2-methyl-2h-pyrazol-3-amine,1-methylpyrazole-5-ylamine |
| IUPAC Name | 2-methylpyrazol-3-amine |
| InChI Key | JESRNIJXVIFVOV-UHFFFAOYSA-N |
| Molecular Formula | C4H7N3 |
Benzo[d]isoxazol-3-ol, ≥95%, Thermo Scientific™
CAS: 21725-69-9 Molecular Formula: C7H5NO2 Molecular Weight (g/mol): 135.122 MDL Number: MFCD00125030 InChI Key: QLDQYRDCPNBPII-UHFFFAOYSA-N Synonym: benzo d isoxazol-3-ol,1,2-benzisoxazol-3 2h-one,1,2-benzoxazol-3-ol,1,2-benzisoxazol-3-ol,3-hydroxybenzisoxazole,3-hydroxy-1,2-benzisoxazole,1,2-benzisoxazolin-3-one,1,2-benzisoxazol-3-ol 8ci,2h-1,2-benzoxazol-3-one,benzisoxazolone PubChem CID: 210830 IUPAC Name: 1,2-benzoxazol-3-one SMILES: C1=CC=C2C(=C1)C(=O)NO2
| PubChem CID | 210830 |
|---|---|
| CAS | 21725-69-9 |
| Molecular Weight (g/mol) | 135.122 |
| MDL Number | MFCD00125030 |
| SMILES | C1=CC=C2C(=C1)C(=O)NO2 |
| Synonym | benzo d isoxazol-3-ol,1,2-benzisoxazol-3 2h-one,1,2-benzoxazol-3-ol,1,2-benzisoxazol-3-ol,3-hydroxybenzisoxazole,3-hydroxy-1,2-benzisoxazole,1,2-benzisoxazolin-3-one,1,2-benzisoxazol-3-ol 8ci,2h-1,2-benzoxazol-3-one,benzisoxazolone |
| IUPAC Name | 1,2-benzoxazol-3-one |
| InChI Key | QLDQYRDCPNBPII-UHFFFAOYSA-N |
| Molecular Formula | C7H5NO2 |
3-Amino-6-chloro-2-methylpyridine, 95%, Thermo Scientific Chemicals
CAS: 164666-68-6 Molecular Formula: C6H7ClN2 Molecular Weight (g/mol): 142.586 MDL Number: MFCD03095220 InChI Key: QVCIIOZINFCMDJ-UHFFFAOYSA-N Synonym: 3-amino-6-chloro-2-picoline,3-amino-6-chloro-2-methylpyridine,5-amino-2-chloro-6-methylpyridine,5-amino-2-chloro-6-picoline,6-chloro-2-methyl-pyridin-3-ylamine,3-pyridinamine, 6-chloro-2-methyl,6-chloro-2-methyl-3-pyridylamine,6-chloro-2-methyl-3-pyridinamine,2-chloro-5-amino-6-methylpyridine,pubchem1246 PubChem CID: 7009500 IUPAC Name: 6-chloro-2-methylpyridin-3-amine SMILES: CC1=C(C=CC(=N1)Cl)N
| PubChem CID | 7009500 |
|---|---|
| CAS | 164666-68-6 |
| Molecular Weight (g/mol) | 142.586 |
| MDL Number | MFCD03095220 |
| SMILES | CC1=C(C=CC(=N1)Cl)N |
| Synonym | 3-amino-6-chloro-2-picoline,3-amino-6-chloro-2-methylpyridine,5-amino-2-chloro-6-methylpyridine,5-amino-2-chloro-6-picoline,6-chloro-2-methyl-pyridin-3-ylamine,3-pyridinamine, 6-chloro-2-methyl,6-chloro-2-methyl-3-pyridylamine,6-chloro-2-methyl-3-pyridinamine,2-chloro-5-amino-6-methylpyridine,pubchem1246 |
| IUPAC Name | 6-chloro-2-methylpyridin-3-amine |
| InChI Key | QVCIIOZINFCMDJ-UHFFFAOYSA-N |
| Molecular Formula | C6H7ClN2 |
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
| PubChem CID | 2737166 |
|---|---|
| CAS | 720-01-4 |
| Molecular Weight (g/mol) | 254.59 |
| MDL Number | MFCD00173897 |
| SMILES | CCOC(=O)C1=CN=C(N=C1Cl)C(F)(F)F |
| 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 |
| IUPAC Name | ethyl 4-chloro-2-(trifluoromethyl)pyrimidine-5-carboxylate |
| InChI Key | DSULCDCBENGHAX-UHFFFAOYSA-N |
| Molecular Formula | C8H6ClF3N2O2 |
N-Succinimidyl N-methylcarbamate, 97%
CAS: 18342-66-0 Molecular Formula: C6H8N2O4 Molecular Weight (g/mol): 172.14 MDL Number: MFCD00800292 InChI Key: XMNGSPOWUCNRMO-UHFFFAOYSA-N Synonym: 2,5-dioxopyrrolidin-1-yl methylcarbamate,n-succinimidyl-n-methylcarbamate,n-succinimidyl n-methylcarbamate,n-succinimdyl-n-methylcarbamate,2,5-dioxopyrrolidin-1-yl n-methylcarbamate,1-methylcarbamoyl oxy pyrrolidine-2,5-dione,2,5-pyrrolidinedione, 1-methylamino carbonyl oxy,mic substitute,methyl isocyanate substitute,methylcarbamic acid succinimidyl ester PubChem CID: 4381935 ChEBI: CHEBI:83949 IUPAC Name: (2,5-dioxopyrrolidin-1-yl) N-methylcarbamate SMILES: CNC(=O)ON1C(=O)CCC1=O
| PubChem CID | 4381935 |
|---|---|
| CAS | 18342-66-0 |
| Molecular Weight (g/mol) | 172.14 |
| ChEBI | CHEBI:83949 |
| MDL Number | MFCD00800292 |
| SMILES | CNC(=O)ON1C(=O)CCC1=O |
| Synonym | 2,5-dioxopyrrolidin-1-yl methylcarbamate,n-succinimidyl-n-methylcarbamate,n-succinimidyl n-methylcarbamate,n-succinimdyl-n-methylcarbamate,2,5-dioxopyrrolidin-1-yl n-methylcarbamate,1-methylcarbamoyl oxy pyrrolidine-2,5-dione,2,5-pyrrolidinedione, 1-methylamino carbonyl oxy,mic substitute,methyl isocyanate substitute,methylcarbamic acid succinimidyl ester |
| IUPAC Name | (2,5-dioxopyrrolidin-1-yl) N-methylcarbamate |
| InChI Key | XMNGSPOWUCNRMO-UHFFFAOYSA-N |
| Molecular Formula | C6H8N2O4 |
3-Bromocarbazole, 98%
CAS: 1592-95-6 Molecular Formula: C12H8BrN Molecular Weight (g/mol): 246.107 MDL Number: MFCD00222621 InChI Key: LTBWKAYPXIIVPC-UHFFFAOYSA-N Synonym: 3-bromocarbazole,9h-carbazole, 3-bromo,3-brominecarbazole,3bromo-9h-carbazole,pubchem9950,maybridge1_004311,acmc-1bpt1,3-bromocarbazole gc PubChem CID: 252446 IUPAC Name: 3-bromo-9H-carbazole SMILES: C1=CC=C2C(=C1)C3=C(N2)C=CC(=C3)Br
| PubChem CID | 252446 |
|---|---|
| CAS | 1592-95-6 |
| Molecular Weight (g/mol) | 246.107 |
| MDL Number | MFCD00222621 |
| SMILES | C1=CC=C2C(=C1)C3=C(N2)C=CC(=C3)Br |
| Synonym | 3-bromocarbazole,9h-carbazole, 3-bromo,3-brominecarbazole,3bromo-9h-carbazole,pubchem9950,maybridge1_004311,acmc-1bpt1,3-bromocarbazole gc |
| IUPAC Name | 3-bromo-9H-carbazole |
| InChI Key | LTBWKAYPXIIVPC-UHFFFAOYSA-N |
| Molecular Formula | C12H8BrN |
3-Amino-5-methyl-1H-pyrazole, 97%
CAS: 31230-17-8 Molecular Formula: C4H7N3 Molecular Weight (g/mol): 97.121 MDL Number: MFCD00075180 InChI Key: FYTLHYRDGXRYEY-UHFFFAOYSA-N Synonym: 3-amino-5-methylpyrazole,3-methyl-1h-pyrazol-5-amine,1h-pyrazol-3-amine, 5-methyl,5-amino-3-methylpyrazole,3-amino-5-methyl-1h-pyrazole,5-amino-3-methyl-1h-pyrazole,5-methyl-2h-pyrazol-3-ylamine,5-methyl-2h-pyrazol-3-amine,5-methyl-1h-pyrazol-3-ylamine,5-methylpyrazol-3-amine PubChem CID: 93146 IUPAC Name: 5-methyl-1H-pyrazol-3-amine SMILES: CC1=CC(=NN1)N
| PubChem CID | 93146 |
|---|---|
| CAS | 31230-17-8 |
| Molecular Weight (g/mol) | 97.121 |
| MDL Number | MFCD00075180 |
| SMILES | CC1=CC(=NN1)N |
| Synonym | 3-amino-5-methylpyrazole,3-methyl-1h-pyrazol-5-amine,1h-pyrazol-3-amine, 5-methyl,5-amino-3-methylpyrazole,3-amino-5-methyl-1h-pyrazole,5-amino-3-methyl-1h-pyrazole,5-methyl-2h-pyrazol-3-ylamine,5-methyl-2h-pyrazol-3-amine,5-methyl-1h-pyrazol-3-ylamine,5-methylpyrazol-3-amine |
| IUPAC Name | 5-methyl-1H-pyrazol-3-amine |
| InChI Key | FYTLHYRDGXRYEY-UHFFFAOYSA-N |
| Molecular Formula | C4H7N3 |
6-Amino-3-bromo-2-methylpyridine, 97%
CAS: 42753-71-9 Molecular Formula: C6H8BrN2 Molecular Weight (g/mol): 188.05 MDL Number: MFCD00068230 InChI Key: SEOZHXRTVJPQPZ-UHFFFAOYSA-O Synonym: 2-amino-5-bromo-6-methylpyridine,6-amino-3-bromo-2-methylpyridine,6-amino-3-bromo-2-picoline,5-bromo-6-methyl-2-pyridinamine,2-amino-5-bromo-6-picoline,2-pyridinamine, 5-bromo-6-methyl,5-bromo-6-methyl-pyridin-2-ylamine,5-bromo-6-methyl-pyridin-2-amine,5-bromo-6-methyl-2-pyridylamine,5-bromo-6-methylpyridin-2-ylamine PubChem CID: 170678 IUPAC Name: 5-bromo-6-methylpyridin-2-amine SMILES: CC1=[NH+]C(N)=CC=C1Br
| PubChem CID | 170678 |
|---|---|
| CAS | 42753-71-9 |
| Molecular Weight (g/mol) | 188.05 |
| MDL Number | MFCD00068230 |
| SMILES | CC1=[NH+]C(N)=CC=C1Br |
| Synonym | 2-amino-5-bromo-6-methylpyridine,6-amino-3-bromo-2-methylpyridine,6-amino-3-bromo-2-picoline,5-bromo-6-methyl-2-pyridinamine,2-amino-5-bromo-6-picoline,2-pyridinamine, 5-bromo-6-methyl,5-bromo-6-methyl-pyridin-2-ylamine,5-bromo-6-methyl-pyridin-2-amine,5-bromo-6-methyl-2-pyridylamine,5-bromo-6-methylpyridin-2-ylamine |
| IUPAC Name | 5-bromo-6-methylpyridin-2-amine |
| InChI Key | SEOZHXRTVJPQPZ-UHFFFAOYSA-O |
| Molecular Formula | C6H8BrN2 |
Maleic anhydride, briquettes
CAS: 108-31-6 Molecular Formula: C4H2O3 Molecular Weight (g/mol): 98.06 MDL Number: MFCD00005518 InChI Key: FPYJFEHAWHCUMM-UHFFFAOYSA-N IUPAC Name: 2,5-dihydrofuran-2,5-dione SMILES: O=C1OC(=O)C=C1
| CAS | 108-31-6 |
|---|---|
| Molecular Weight (g/mol) | 98.06 |
| MDL Number | MFCD00005518 |
| SMILES | O=C1OC(=O)C=C1 |
| IUPAC Name | 2,5-dihydrofuran-2,5-dione |
| InChI Key | FPYJFEHAWHCUMM-UHFFFAOYSA-N |
| Molecular Formula | C4H2O3 |
Thermo Scientific Chemicals Indacaterol maleate
CAS: 753498-25-8 Molecular Formula: C28H32N2O7 Molecular Weight (g/mol): 508.57 MDL Number: MFCD20526769,MFCD18782702 InChI Key: IREJFXIHXRZFER-UHFFFAOYNA-N IUPAC Name: 5-{2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl}-8-hydroxy-1,2-dihydroquinolin-2-one; but-2-enedioic acid SMILES: OC(=O)C=CC(O)=O.CCC1=C(CC)C=C2CC(CC2=C1)NCC(O)C1=C2C=CC(=O)NC2=C(O)C=C1
| CAS | 753498-25-8 |
|---|---|
| Molecular Weight (g/mol) | 508.57 |
| MDL Number | MFCD20526769,MFCD18782702 |
| SMILES | OC(=O)C=CC(O)=O.CCC1=C(CC)C=C2CC(CC2=C1)NCC(O)C1=C2C=CC(=O)NC2=C(O)C=C1 |
| IUPAC Name | 5-{2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl}-8-hydroxy-1,2-dihydroquinolin-2-one; but-2-enedioic acid |
| InChI Key | IREJFXIHXRZFER-UHFFFAOYNA-N |
| Molecular Formula | C28H32N2O7 |
Ethosuximide
CAS: 77-67-8 Molecular Formula: C7H11NO2 Molecular Weight (g/mol): 141.17 MDL Number: MFCD00072123 InChI Key: HAPOVYFOVVWLRS-UHFFFAOYNA-N Synonym: ethosuximide,zarontin,etosuximida,2-ethyl-2-methylsuccinimide,ethosuxide,ethosuccimide,ethosuccinimide,petnidan,suxinutin,atysmal PubChem CID: 3291 ChEBI: CHEBI:4887 IUPAC Name: 3-ethyl-3-methylpyrrolidine-2,5-dione SMILES: CCC1(C)CC(=O)NC1=O
| PubChem CID | 3291 |
|---|---|
| CAS | 77-67-8 |
| Molecular Weight (g/mol) | 141.17 |
| ChEBI | CHEBI:4887 |
| MDL Number | MFCD00072123 |
| SMILES | CCC1(C)CC(=O)NC1=O |
| Synonym | ethosuximide,zarontin,etosuximida,2-ethyl-2-methylsuccinimide,ethosuxide,ethosuccimide,ethosuccinimide,petnidan,suxinutin,atysmal |
| IUPAC Name | 3-ethyl-3-methylpyrrolidine-2,5-dione |
| InChI Key | HAPOVYFOVVWLRS-UHFFFAOYNA-N |
| Molecular Formula | C7H11NO2 |
6-Pyrrolidin-1-ylpyridine-2-carboxylic acid, 97%, Thermo Scientific™
CAS: 450368-20-4 Molecular Formula: C10H12N2O2 Molecular Weight (g/mol): 192.22 MDL Number: MFCD09064946 InChI Key: HXPHLYQBFPDHNK-UHFFFAOYSA-N PubChem CID: 23509740 SMILES: OC(=O)C1=NC(=CC=C1)N1CCCC1
| PubChem CID | 23509740 |
|---|---|
| CAS | 450368-20-4 |
| Molecular Weight (g/mol) | 192.22 |
| MDL Number | MFCD09064946 |
| SMILES | OC(=O)C1=NC(=CC=C1)N1CCCC1 |
| InChI Key | HXPHLYQBFPDHNK-UHFFFAOYSA-N |
| Molecular Formula | C10H12N2O2 |
3,4,9,10-Perylenetetracarboxylic diimide
CAS: 81-33-4 Molecular Formula: C24H10N2O4 Molecular Weight (g/mol): 390.354 MDL Number: MFCD00024144 InChI Key: KJOLVZJFMDVPGB-UHFFFAOYSA-N Synonym: perylimid,3,4,9,10-perylenetetracarboxylic diimide,perylenediimide,3,4,9,10-perylenetetracarboxylic acid diimide,perylene-3,4:9,10-tetracarboxydiimide,unii-63nli8842l,anthra 2,1,9-def:6,5,10-d'e'f' diisoquinoline-1,3,8,10 2h,9h-tetrone,anthra 2,1,9-def:6,5,10-d'e'f' diisoquinoline-1,3,8,10 2h,9h-tetraone,isoquino 4',5',6':6,5,10 anthra 2,1,9-def isoquinoline-1,3,8,10 2h,9h-tetrone PubChem CID: 66475 ChEBI: CHEBI:52753 SMILES: C1=CC2=C3C(=CC=C4C3=C1C5=C6C4=CC=C7C6=C(C=C5)C(=O)NC7=O)C(=O)NC2=O
| PubChem CID | 66475 |
|---|---|
| CAS | 81-33-4 |
| Molecular Weight (g/mol) | 390.354 |
| ChEBI | CHEBI:52753 |
| MDL Number | MFCD00024144 |
| SMILES | C1=CC2=C3C(=CC=C4C3=C1C5=C6C4=CC=C7C6=C(C=C5)C(=O)NC7=O)C(=O)NC2=O |
| Synonym | perylimid,3,4,9,10-perylenetetracarboxylic diimide,perylenediimide,3,4,9,10-perylenetetracarboxylic acid diimide,perylene-3,4:9,10-tetracarboxydiimide,unii-63nli8842l,anthra 2,1,9-def:6,5,10-d'e'f' diisoquinoline-1,3,8,10 2h,9h-tetrone,anthra 2,1,9-def:6,5,10-d'e'f' diisoquinoline-1,3,8,10 2h,9h-tetraone,isoquino 4',5',6':6,5,10 anthra 2,1,9-def isoquinoline-1,3,8,10 2h,9h-tetrone |
| InChI Key | KJOLVZJFMDVPGB-UHFFFAOYSA-N |
| Molecular Formula | C24H10N2O4 |
Quinoline-4-carboxylic acid, 98+%
CAS: 486-74-8 Molecular Formula: C10H7NO2 Molecular Weight (g/mol): 173.171 MDL Number: MFCD00006782 InChI Key: VQMSRUREDGBWKT-UHFFFAOYSA-N Synonym: 4-quinolinecarboxylic acid,cinchoninic acid,4-carboxyquinoline,cinchonic acid,usaf d-2,quinoline-4-carboxylicacid,4-quinolinecarboxylicacid,cinchoninsaure,pubchem5843,chinolin-4-carbonsaeure PubChem CID: 10243 ChEBI: CHEBI:18311 IUPAC Name: quinoline-4-carboxylic acid SMILES: C1=CC=C2C(=C1)C(=CC=N2)C(=O)O
| PubChem CID | 10243 |
|---|---|
| CAS | 486-74-8 |
| Molecular Weight (g/mol) | 173.171 |
| ChEBI | CHEBI:18311 |
| MDL Number | MFCD00006782 |
| SMILES | C1=CC=C2C(=C1)C(=CC=N2)C(=O)O |
| Synonym | 4-quinolinecarboxylic acid,cinchoninic acid,4-carboxyquinoline,cinchonic acid,usaf d-2,quinoline-4-carboxylicacid,4-quinolinecarboxylicacid,cinchoninsaure,pubchem5843,chinolin-4-carbonsaeure |
| IUPAC Name | quinoline-4-carboxylic acid |
| InChI Key | VQMSRUREDGBWKT-UHFFFAOYSA-N |
| Molecular Formula | C10H7NO2 |