Organoheterocyclic compounds
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8-Bromotheophylline 98.0+%, TCI America™
CAS: 10381-75-6 Molecular Formula: C7H7BrN4O2 Molecular Weight (g/mol): 259.063 MDL Number: MFCD00022664 InChI Key: SKTFQHRVFFOHTQ-UHFFFAOYSA-N PubChem CID: 11808 IUPAC Name: 8-bromo-1,3-dimethyl-7H-purine-2,6-dione SMILES: CN1C2=C(C(=O)N(C1=O)C)NC(=N2)Br
| PubChem CID | 11808 |
|---|---|
| CAS | 10381-75-6 |
| Molecular Weight (g/mol) | 259.063 |
| MDL Number | MFCD00022664 |
| SMILES | CN1C2=C(C(=O)N(C1=O)C)NC(=N2)Br |
| IUPAC Name | 8-bromo-1,3-dimethyl-7H-purine-2,6-dione |
| InChI Key | SKTFQHRVFFOHTQ-UHFFFAOYSA-N |
| Molecular Formula | C7H7BrN4O2 |
8-Bromo-7-(2-butyn-1-yl)-3-methylxanthine 98.0+%, TCI America™
CAS: 666816-98-4 Molecular Formula: C10H9BrN4O2 Molecular Weight (g/mol): 297.112 MDL Number: MFCD22126091 InChI Key: HFZOBQSHTNNKFY-UHFFFAOYSA-N Synonym: 8-Bromo-7-(2-butyn-1-yl)-3,7-dihydro-3-methyl-1H-purine-2,6-dione PubChem CID: 21088927 IUPAC Name: 8-bromo-7-but-2-ynyl-3-methylpurine-2,6-dione SMILES: CC#CCN1C2=C(N=C1Br)N(C(=O)NC2=O)C
| PubChem CID | 21088927 |
|---|---|
| CAS | 666816-98-4 |
| Molecular Weight (g/mol) | 297.112 |
| MDL Number | MFCD22126091 |
| SMILES | CC#CCN1C2=C(N=C1Br)N(C(=O)NC2=O)C |
| Synonym | 8-Bromo-7-(2-butyn-1-yl)-3,7-dihydro-3-methyl-1H-purine-2,6-dione |
| IUPAC Name | 8-bromo-7-but-2-ynyl-3-methylpurine-2,6-dione |
| InChI Key | HFZOBQSHTNNKFY-UHFFFAOYSA-N |
| Molecular Formula | C10H9BrN4O2 |
1,3,4,6-Tetrathiapentalene-2,5-dione 98.0+%, TCI America™
CAS: 64394-45-2 Molecular Formula: C4O2S4 Molecular Weight (g/mol): 208.282 MDL Number: MFCD00010403 InChI Key: XMQJUIFJLYEFQR-UHFFFAOYSA-N PubChem CID: 555056 IUPAC Name: [1,3]dithiolo[4,5-d][1,3]dithiole-2,5-dione SMILES: C12=C(SC(=O)S1)SC(=O)S2
| PubChem CID | 555056 |
|---|---|
| CAS | 64394-45-2 |
| Molecular Weight (g/mol) | 208.282 |
| MDL Number | MFCD00010403 |
| SMILES | C12=C(SC(=O)S1)SC(=O)S2 |
| IUPAC Name | [1,3]dithiolo[4,5-d][1,3]dithiole-2,5-dione |
| InChI Key | XMQJUIFJLYEFQR-UHFFFAOYSA-N |
| Molecular Formula | C4O2S4 |
Meloxicam 98.0+%, TCI America™
CAS: 71125-38-7 Molecular Formula: C14H13N3O4S2 Molecular Weight (g/mol): 351.40 MDL Number: MFCD00868752 InChI Key: DWMREKMVXIFPFM-ACCUITESSA-N Synonym: meloxicam,mobic,metacam,movalis,meloxicamum,mobicox,mobec,meloxicam mobic,movatec,parocin PubChem CID: 54677470 ChEBI: CHEBI:6741 IUPAC Name: (3E)-3-{hydroxy[(5-methyl-1,3-thiazol-2-yl)amino]methylidene}-2-methyl-3,4-dihydro-2H-1λ⁶,2-benzothiazine-1,1,4-trione SMILES: CN1\C(=C(\O)NC2=NC=C(C)S2)C(=O)C2=CC=CC=C2S1(=O)=O
| PubChem CID | 54677470 |
|---|---|
| CAS | 71125-38-7 |
| Molecular Weight (g/mol) | 351.40 |
| ChEBI | CHEBI:6741 |
| MDL Number | MFCD00868752 |
| SMILES | CN1\C(=C(\O)NC2=NC=C(C)S2)C(=O)C2=CC=CC=C2S1(=O)=O |
| Synonym | meloxicam,mobic,metacam,movalis,meloxicamum,mobicox,mobec,meloxicam mobic,movatec,parocin |
| IUPAC Name | (3E)-3-{hydroxy[(5-methyl-1,3-thiazol-2-yl)amino]methylidene}-2-methyl-3,4-dihydro-2H-1λ⁶,2-benzothiazine-1,1,4-trione |
| InChI Key | DWMREKMVXIFPFM-ACCUITESSA-N |
| Molecular Formula | C14H13N3O4S2 |
2-Aminonicotinic Acid 98.0+%, TCI America™
CAS: 5345-47-1 Molecular Formula: C6H6N2O2 Molecular Weight (g/mol): 138.13 MDL Number: MFCD00006318 InChI Key: KPIVDNYJNOPGBE-UHFFFAOYSA-N Synonym: 2-aminonicotinic acid,2-amino-3-pyridinecarboxylic acid,3-pyridinecarboxylic acid, 2-amino,2-amino-nicotinic acid,2-amino-3-carboxypyridine,nicotinic acid, 2-amino,aminonicotinic acid,h-nh 2 nicot-oh,amino-nicotinic acid,2-aminonicotinicacid PubChem CID: 72930 ChEBI: CHEBI:68572 IUPAC Name: 2-aminopyridine-3-carboxylic acid SMILES: NC1=NC=CC=C1C(O)=O
| PubChem CID | 72930 |
|---|---|
| CAS | 5345-47-1 |
| Molecular Weight (g/mol) | 138.13 |
| ChEBI | CHEBI:68572 |
| MDL Number | MFCD00006318 |
| SMILES | NC1=NC=CC=C1C(O)=O |
| Synonym | 2-aminonicotinic acid,2-amino-3-pyridinecarboxylic acid,3-pyridinecarboxylic acid, 2-amino,2-amino-nicotinic acid,2-amino-3-carboxypyridine,nicotinic acid, 2-amino,aminonicotinic acid,h-nh 2 nicot-oh,amino-nicotinic acid,2-aminonicotinicacid |
| IUPAC Name | 2-aminopyridine-3-carboxylic acid |
| InChI Key | KPIVDNYJNOPGBE-UHFFFAOYSA-N |
| Molecular Formula | C6H6N2O2 |
N-Succinimidyl 4-Nitrophenylacetate 98.0+%, TCI America™
CAS: 68123-33-1 Molecular Formula: C12H10N2O6 Molecular Weight (g/mol): 278.22 MDL Number: MFCD00047124 InChI Key: JUEAHIVORWVODA-UHFFFAOYSA-N Synonym: N-(4-Nitrophenylacetoxy)succinimide PubChem CID: 100796 IUPAC Name: 2,5-dioxopyrrolidin-1-yl 2-(4-nitrophenyl)acetate SMILES: [O-][N+](=O)C1=CC=C(CC(=O)ON2C(=O)CCC2=O)C=C1
| PubChem CID | 100796 |
|---|---|
| CAS | 68123-33-1 |
| Molecular Weight (g/mol) | 278.22 |
| MDL Number | MFCD00047124 |
| SMILES | [O-][N+](=O)C1=CC=C(CC(=O)ON2C(=O)CCC2=O)C=C1 |
| Synonym | N-(4-Nitrophenylacetoxy)succinimide |
| IUPAC Name | 2,5-dioxopyrrolidin-1-yl 2-(4-nitrophenyl)acetate |
| InChI Key | JUEAHIVORWVODA-UHFFFAOYSA-N |
| Molecular Formula | C12H10N2O6 |
1-n-Octyl-2-pyrrolidone 98.0+%, TCI America™
CAS: 2687-94-7 Molecular Formula: C12H23NO Molecular Weight (g/mol): 197.32 MDL Number: MFCD00074965 InChI Key: WPPOGHDFAVQKLN-UHFFFAOYSA-N PubChem CID: 3033871 IUPAC Name: 1-octylpyrrolidin-2-one SMILES: CCCCCCCCN1CCCC1=O
| PubChem CID | 3033871 |
|---|---|
| CAS | 2687-94-7 |
| Molecular Weight (g/mol) | 197.32 |
| MDL Number | MFCD00074965 |
| SMILES | CCCCCCCCN1CCCC1=O |
| IUPAC Name | 1-octylpyrrolidin-2-one |
| InChI Key | WPPOGHDFAVQKLN-UHFFFAOYSA-N |
| Molecular Formula | C12H23NO |
1-(3-Cyanopropyl)pyrrolidine 95.0+%, TCI America™
CAS: 35543-25-0 Molecular Formula: C8H14N2 Molecular Weight (g/mol): 138.214 MDL Number: MFCD00003183 InChI Key: OSDDDHPYSNZBPF-UHFFFAOYSA-N Synonym: 1-pyrrolidinebutanenitrile,4-pyrrolidin-1-yl butanenitrile,1-pyrrolidinebutyronitrile,1-3-cyanopropyl pyrrolidine,4-1-pyrrolidine butyronitrile,1-pyrrolidinobutyronitrile,4-pyrrolidin-1-yl-butyronitrile,4-pyrrolidinylbutanenitrile,4-pyrrolidin-1-ylbutyronitrile,4-pyrrolidinobutyronitrile PubChem CID: 118838 IUPAC Name: 4-pyrrolidin-1-ylbutanenitrile SMILES: C1CCN(C1)CCCC#N
| PubChem CID | 118838 |
|---|---|
| CAS | 35543-25-0 |
| Molecular Weight (g/mol) | 138.214 |
| MDL Number | MFCD00003183 |
| SMILES | C1CCN(C1)CCCC#N |
| Synonym | 1-pyrrolidinebutanenitrile,4-pyrrolidin-1-yl butanenitrile,1-pyrrolidinebutyronitrile,1-3-cyanopropyl pyrrolidine,4-1-pyrrolidine butyronitrile,1-pyrrolidinobutyronitrile,4-pyrrolidin-1-yl-butyronitrile,4-pyrrolidinylbutanenitrile,4-pyrrolidin-1-ylbutyronitrile,4-pyrrolidinobutyronitrile |
| IUPAC Name | 4-pyrrolidin-1-ylbutanenitrile |
| InChI Key | OSDDDHPYSNZBPF-UHFFFAOYSA-N |
| Molecular Formula | C8H14N2 |
N-(2,2,2-Trichloroethoxycarbonyloxy)succinimide 98.0+%, TCI America™
CAS: 66065-85-8 Molecular Formula: C7H6Cl3NO5 Molecular Weight (g/mol): 290.477 MDL Number: MFCD00075216 InChI Key: WBZXNGAFYBGQFE-UHFFFAOYSA-N Synonym: 2,5-dioxopyrrolidin-1-yl 2,2,2-trichloroethyl carbonate,succinimidyl 2,2,2-trichloroethyl carbonate,n-2,2,2-trichloroethoxycarbonyloxy succinimide,troc-osu, succinimidyl-2,2,2-trichloroethyl carbonate,succinimidyl 2,2,2-trichloroethyl carbon,zlchem 876,acmc-20aajg,n-succinimidyl 2,2,2-trichloroethyl carbonate PubChem CID: 4192178 IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 2,2,2-trichloroethyl carbonate SMILES: C1CC(=O)N(C1=O)OC(=O)OCC(Cl)(Cl)Cl
| PubChem CID | 4192178 |
|---|---|
| CAS | 66065-85-8 |
| Molecular Weight (g/mol) | 290.477 |
| MDL Number | MFCD00075216 |
| SMILES | C1CC(=O)N(C1=O)OC(=O)OCC(Cl)(Cl)Cl |
| Synonym | 2,5-dioxopyrrolidin-1-yl 2,2,2-trichloroethyl carbonate,succinimidyl 2,2,2-trichloroethyl carbonate,n-2,2,2-trichloroethoxycarbonyloxy succinimide,troc-osu, succinimidyl-2,2,2-trichloroethyl carbonate,succinimidyl 2,2,2-trichloroethyl carbon,zlchem 876,acmc-20aajg,n-succinimidyl 2,2,2-trichloroethyl carbonate |
| IUPAC Name | (2,5-dioxopyrrolidin-1-yl) 2,2,2-trichloroethyl carbonate |
| InChI Key | WBZXNGAFYBGQFE-UHFFFAOYSA-N |
| Molecular Formula | C7H6Cl3NO5 |
7-Methyl-1,4-benzothiazin-3-one, TCI America™
CAS: 30322-02-2 Molecular Formula: C9H9NOS Molecular Weight (g/mol): 179.24 MDL Number: MFCD02660690 InChI Key: ODJQMWDFNLNCTM-UHFFFAOYSA-N PubChem CID: 689104 IUPAC Name: 7-methyl-3,4-dihydro-2H-1,4-benzothiazin-3-one SMILES: CC1=CC2=C(NC(=O)CS2)C=C1
| PubChem CID | 689104 |
|---|---|
| CAS | 30322-02-2 |
| Molecular Weight (g/mol) | 179.24 |
| MDL Number | MFCD02660690 |
| SMILES | CC1=CC2=C(NC(=O)CS2)C=C1 |
| IUPAC Name | 7-methyl-3,4-dihydro-2H-1,4-benzothiazin-3-one |
| InChI Key | ODJQMWDFNLNCTM-UHFFFAOYSA-N |
| Molecular Formula | C9H9NOS |
4,4'-Bis(chloromethyl)-2,2'-bipyridyl 98.0+%, TCI America™
CAS: 138219-98-4 Molecular Formula: C12H10Cl2N2 Molecular Weight (g/mol): 253.126 InChI Key: VZKSOWFFOHQARA-UHFFFAOYSA-N PubChem CID: 10562811 IUPAC Name: 4-(chloromethyl)-2-[4-(chloromethyl)pyridin-2-yl]pyridine SMILES: C1=CN=C(C=C1CCl)C2=NC=CC(=C2)CCl
| PubChem CID | 10562811 |
|---|---|
| CAS | 138219-98-4 |
| Molecular Weight (g/mol) | 253.126 |
| SMILES | C1=CN=C(C=C1CCl)C2=NC=CC(=C2)CCl |
| IUPAC Name | 4-(chloromethyl)-2-[4-(chloromethyl)pyridin-2-yl]pyridine |
| InChI Key | VZKSOWFFOHQARA-UHFFFAOYSA-N |
| Molecular Formula | C12H10Cl2N2 |
6-Maleimidohexanehydrazide Trifluoroacetate 95.0+%, TCI America™
CAS: 151038-94-7 Molecular Formula: C12H16F3N3O5 Molecular Weight (g/mol): 339.27 MDL Number: MFCD07357647 InChI Key: DRURMGRBAVYWCL-UHFFFAOYSA-N Synonym: epsilon-Maleimidocaproyl Hydrazide Trifluoroacetate, EMCH PubChem CID: 23509306 IUPAC Name: 6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanehydrazide; trifluoroacetic acid SMILES: OC(=O)C(F)(F)F.NNC(=O)CCCCCN1C(=O)C=CC1=O
| PubChem CID | 23509306 |
|---|---|
| CAS | 151038-94-7 |
| Molecular Weight (g/mol) | 339.27 |
| MDL Number | MFCD07357647 |
| SMILES | OC(=O)C(F)(F)F.NNC(=O)CCCCCN1C(=O)C=CC1=O |
| Synonym | epsilon-Maleimidocaproyl Hydrazide Trifluoroacetate, EMCH |
| IUPAC Name | 6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanehydrazide; trifluoroacetic acid |
| InChI Key | DRURMGRBAVYWCL-UHFFFAOYSA-N |
| Molecular Formula | C12H16F3N3O5 |
5,6-Dihydro-1,4-dithiin-2,3-dicarboximide 97.0+%, TCI America™
CAS: 24519-85-5 Molecular Formula: C6H5NO2S2 Molecular Weight (g/mol): 187.23 MDL Number: MFCD01632185 InChI Key: XNIVQWHLYNEVBN-UHFFFAOYSA-N Synonym: 2,3-Dihydro-1,4-dithiino[2,3-c]pyrrole-5,7-dione PubChem CID: 32477 IUPAC Name: 2H,3H,5H,6H,7H-[1,4]dithiino[2,3-c]pyrrole-5,7-dione SMILES: O=C1NC(=O)C2=C1SCCS2
| PubChem CID | 32477 |
|---|---|
| CAS | 24519-85-5 |
| Molecular Weight (g/mol) | 187.23 |
| MDL Number | MFCD01632185 |
| SMILES | O=C1NC(=O)C2=C1SCCS2 |
| Synonym | 2,3-Dihydro-1,4-dithiino[2,3-c]pyrrole-5,7-dione |
| IUPAC Name | 2H,3H,5H,6H,7H-[1,4]dithiino[2,3-c]pyrrole-5,7-dione |
| InChI Key | XNIVQWHLYNEVBN-UHFFFAOYSA-N |
| Molecular Formula | C6H5NO2S2 |
Ethyl 1,4-Benzodioxane-2-carboxylate 98.0+%, TCI America™
CAS: 4739-94-0 Molecular Formula: C11H12O4 Molecular Weight (g/mol): 208.213 MDL Number: MFCD01099774 InChI Key: DDIGEMWIKJMEIU-UHFFFAOYSA-N Synonym: 1,4-Benzodioxane-2-carboxylic Acid Ethyl Ester PubChem CID: 151226 IUPAC Name: ethyl 2,3-dihydro-1,4-benzodioxine-3-carboxylate SMILES: CCOC(=O)C1COC2=CC=CC=C2O1
| PubChem CID | 151226 |
|---|---|
| CAS | 4739-94-0 |
| Molecular Weight (g/mol) | 208.213 |
| MDL Number | MFCD01099774 |
| SMILES | CCOC(=O)C1COC2=CC=CC=C2O1 |
| Synonym | 1,4-Benzodioxane-2-carboxylic Acid Ethyl Ester |
| IUPAC Name | ethyl 2,3-dihydro-1,4-benzodioxine-3-carboxylate |
| InChI Key | DDIGEMWIKJMEIU-UHFFFAOYSA-N |
| Molecular Formula | C11H12O4 |