Organoheterocyclic compounds
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5-Nitrouracil, 98+%
CAS: 611-08-5 Molecular Formula: C4H3N3O4 Molecular Weight (g/mol): 157.09 MDL Number: MFCD00006021 InChI Key: TUARVSWVPPVUGS-UHFFFAOYSA-N Synonym: 5-nitrouracil,2,4-dihydroxy-5-nitropyrimidine,5-nitropyrimidine-2,4-diol,uracil, 5-nitro,5-nitropyrimidine-2,4 1h,3h-dione,2,4 1h,3h-pyrimidinedione, 5-nitro,5-nitro-1,2,3,4-tetrahydropyrimidine-2,4-dione,4-hydroxy-5-nitropyrimidin-2 1h-one,2,4 1h,3h-pyrimidinedione-5-nitro,5-nitrouracil 2,4-dihydroxy-5-nitropyrimidine PubChem CID: 69135 ChEBI: CHEBI:60763 IUPAC Name: 5-nitro-1H-pyrimidine-2,4-dione SMILES: [O-][N+](=O)C1=CNC(=O)NC1=O
| PubChem CID | 69135 |
|---|---|
| CAS | 611-08-5 |
| Molecular Weight (g/mol) | 157.09 |
| ChEBI | CHEBI:60763 |
| MDL Number | MFCD00006021 |
| SMILES | [O-][N+](=O)C1=CNC(=O)NC1=O |
| Synonym | 5-nitrouracil,2,4-dihydroxy-5-nitropyrimidine,5-nitropyrimidine-2,4-diol,uracil, 5-nitro,5-nitropyrimidine-2,4 1h,3h-dione,2,4 1h,3h-pyrimidinedione, 5-nitro,5-nitro-1,2,3,4-tetrahydropyrimidine-2,4-dione,4-hydroxy-5-nitropyrimidin-2 1h-one,2,4 1h,3h-pyrimidinedione-5-nitro,5-nitrouracil 2,4-dihydroxy-5-nitropyrimidine |
| IUPAC Name | 5-nitro-1H-pyrimidine-2,4-dione |
| InChI Key | TUARVSWVPPVUGS-UHFFFAOYSA-N |
| Molecular Formula | C4H3N3O4 |
1,2,5-Trimethyl-1H-pyrrole-3-carboxylic acid, Technical Grade, Thermo Scientific™
CAS: 175276-50-3 Molecular Formula: C8H11NO2 Molecular Weight (g/mol): 153.18 MDL Number: MFCD00203866 InChI Key: JTEBLTWGSAXWEE-UHFFFAOYSA-N Synonym: 1,2,5-trimethyl-1h-pyrrole-3-carboxylic acid,maybridge1_002499,3-carboxy-1,2,5-trimethyl-1h-pyrrole,1,2,5-trimethyl-3-pyrrolecarboxylic acid,1h-pyrrole-3-carboxylicacid,1,2,5-trimethyl,1h-pyrrole-3-carboxylicacid, 1,2,5-trimethyl,1h-pyrrole-3-carboxylic acid, 1,2,5-trimethyl PubChem CID: 736491 IUPAC Name: 1,2,5-trimethylpyrrole-3-carboxylic acid SMILES: CN1C(C)=CC(C(O)=O)=C1C
| PubChem CID | 736491 |
|---|---|
| CAS | 175276-50-3 |
| Molecular Weight (g/mol) | 153.18 |
| MDL Number | MFCD00203866 |
| SMILES | CN1C(C)=CC(C(O)=O)=C1C |
| Synonym | 1,2,5-trimethyl-1h-pyrrole-3-carboxylic acid,maybridge1_002499,3-carboxy-1,2,5-trimethyl-1h-pyrrole,1,2,5-trimethyl-3-pyrrolecarboxylic acid,1h-pyrrole-3-carboxylicacid,1,2,5-trimethyl,1h-pyrrole-3-carboxylicacid, 1,2,5-trimethyl,1h-pyrrole-3-carboxylic acid, 1,2,5-trimethyl |
| IUPAC Name | 1,2,5-trimethylpyrrole-3-carboxylic acid |
| InChI Key | JTEBLTWGSAXWEE-UHFFFAOYSA-N |
| Molecular Formula | C8H11NO2 |
Methyl 4-bromopyridine-2-carboxylate, 97+%
CAS: 29681-42-3 Molecular Formula: C7H6BrNO2 Molecular Weight (g/mol): 216.034 MDL Number: MFCD07374897 InChI Key: JZFLATQBIPILFS-UHFFFAOYSA-N PubChem CID: 12828947 IUPAC Name: methyl 4-bromopyridine-2-carboxylate SMILES: COC(=O)C1=NC=CC(=C1)Br
| PubChem CID | 12828947 |
|---|---|
| CAS | 29681-42-3 |
| Molecular Weight (g/mol) | 216.034 |
| MDL Number | MFCD07374897 |
| SMILES | COC(=O)C1=NC=CC(=C1)Br |
| IUPAC Name | methyl 4-bromopyridine-2-carboxylate |
| InChI Key | JZFLATQBIPILFS-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrNO2 |
(S)-3-Aminotetrahydrofuran hydrochloride, 95%, Thermo Scientific™
CAS: 204512-95-8 Molecular Formula: C4H9NO·ClH Molecular Weight (g/mol): 123.58 InChI Key: MHOVLDXJDIEEMJ-WCCKRBBISA-N Synonym: s-tetrahydrofuran-3-amine hydrochloride,s-3-aminotetrahydrofuran hydrochloride,3s-oxolan-3-amine hydrochloride,s-3-aminotetrahydrofuran hcl,s-tetrahydrofuran-3-amine hcl,s-tetrahydro-furan-3-ylamine hydrochloride,3-furanamine, tetrahydro-, hydrochloride, 3s,s-3-aminotetrahydrofuranhydrochloride,pubchem15126,ksc916a5t PubChem CID: 18664284 IUPAC Name: (3S)-oxolan-3-amine;hydrochloride SMILES: C1COCC1N.Cl
| PubChem CID | 18664284 |
|---|---|
| CAS | 204512-95-8 |
| Molecular Weight (g/mol) | 123.58 |
| SMILES | C1COCC1N.Cl |
| Synonym | s-tetrahydrofuran-3-amine hydrochloride,s-3-aminotetrahydrofuran hydrochloride,3s-oxolan-3-amine hydrochloride,s-3-aminotetrahydrofuran hcl,s-tetrahydrofuran-3-amine hcl,s-tetrahydro-furan-3-ylamine hydrochloride,3-furanamine, tetrahydro-, hydrochloride, 3s,s-3-aminotetrahydrofuranhydrochloride,pubchem15126,ksc916a5t |
| IUPAC Name | (3S)-oxolan-3-amine;hydrochloride |
| InChI Key | MHOVLDXJDIEEMJ-WCCKRBBISA-N |
| Molecular Formula | C4H9NO·ClH |
6-Bromo-4-methylquinoline, 96%
CAS: 41037-28-9 Molecular Formula: C10H8BrN Molecular Weight (g/mol): 222.085 MDL Number: MFCD09258893 InChI Key: XBZQSJLYRMZRSZ-UHFFFAOYSA-N Synonym: quinoline, 6-bromo-4-methyl,6-bromo-4-methyl-quinoline,6-bromo lepidine,4-methyl-6-bromoquinoline,quinoline,6-bromo-4-methyl,6-bromanyl-4-methyl-quinoline PubChem CID: 12475362 IUPAC Name: 6-bromo-4-methylquinoline SMILES: CC1=C2C=C(C=CC2=NC=C1)Br
| PubChem CID | 12475362 |
|---|---|
| CAS | 41037-28-9 |
| Molecular Weight (g/mol) | 222.085 |
| MDL Number | MFCD09258893 |
| SMILES | CC1=C2C=C(C=CC2=NC=C1)Br |
| Synonym | quinoline, 6-bromo-4-methyl,6-bromo-4-methyl-quinoline,6-bromo lepidine,4-methyl-6-bromoquinoline,quinoline,6-bromo-4-methyl,6-bromanyl-4-methyl-quinoline |
| IUPAC Name | 6-bromo-4-methylquinoline |
| InChI Key | XBZQSJLYRMZRSZ-UHFFFAOYSA-N |
| Molecular Formula | C10H8BrN |
2-Chloro-6-hydroxypyridine, 98%
CAS: 16879-02-0 Molecular Formula: C5H4ClNO Molecular Weight (g/mol): 129.543 MDL Number: MFCD00006278 InChI Key: CLNNBQDAAGDAHI-UHFFFAOYSA-N Synonym: 6-chloropyridin-2-ol,2-chloro-6-hydroxypyridine,6-chloro-2-pyridinol,6-chloro-2-hydroxypyridine,6-chloropyridin-2 1h-one,2 1h-pyridinone, 6-chloro,6-chloro-2 1h-pyridinone,6-chloro-2-pyridone,6-chloropyridn-2-ol,2 1h-pyridone, 6-chloro PubChem CID: 85621 IUPAC Name: 6-chloro-1H-pyridin-2-one SMILES: C1=CC(=O)NC(=C1)Cl
| PubChem CID | 85621 |
|---|---|
| CAS | 16879-02-0 |
| Molecular Weight (g/mol) | 129.543 |
| MDL Number | MFCD00006278 |
| SMILES | C1=CC(=O)NC(=C1)Cl |
| Synonym | 6-chloropyridin-2-ol,2-chloro-6-hydroxypyridine,6-chloro-2-pyridinol,6-chloro-2-hydroxypyridine,6-chloropyridin-2 1h-one,2 1h-pyridinone, 6-chloro,6-chloro-2 1h-pyridinone,6-chloro-2-pyridone,6-chloropyridn-2-ol,2 1h-pyridone, 6-chloro |
| IUPAC Name | 6-chloro-1H-pyridin-2-one |
| InChI Key | CLNNBQDAAGDAHI-UHFFFAOYSA-N |
| Molecular Formula | C5H4ClNO |
5-Methyl-2-(tri-n-butylstannyl)thiazole, 90+%
CAS: 848613-91-2 Molecular Formula: C16H31NSSn Molecular Weight (g/mol): 388.201 MDL Number: MFCD09025809 InChI Key: LALGELPHLJBAEK-UHFFFAOYSA-N Synonym: 5-methyl-2-tributylstannyl thiazole,5-methyl-2-tributylstannyl-1,3-thiazole,5-methyl-2-tri-n-butylstannyl thiazole,acmc-209px3,5-methyl-2-tributylstannyl-thiazole,thiazole, 5-methyl-2-tributylstannyl,5-methyl-2-tributylstannanyl-thiazole,5-methyl-2-tributylstannanyl-1,3-thiazole,2-tri-n-butylstannyl-5-methylthiazole PubChem CID: 16427131 IUPAC Name: tributyl-(5-methyl-1,3-thiazol-2-yl)stannane SMILES: CCCC[Sn](CCCC)(CCCC)C1=NC=C(S1)C
| PubChem CID | 16427131 |
|---|---|
| CAS | 848613-91-2 |
| Molecular Weight (g/mol) | 388.201 |
| MDL Number | MFCD09025809 |
| SMILES | CCCC[Sn](CCCC)(CCCC)C1=NC=C(S1)C |
| Synonym | 5-methyl-2-tributylstannyl thiazole,5-methyl-2-tributylstannyl-1,3-thiazole,5-methyl-2-tri-n-butylstannyl thiazole,acmc-209px3,5-methyl-2-tributylstannyl-thiazole,thiazole, 5-methyl-2-tributylstannyl,5-methyl-2-tributylstannanyl-thiazole,5-methyl-2-tributylstannanyl-1,3-thiazole,2-tri-n-butylstannyl-5-methylthiazole |
| IUPAC Name | tributyl-(5-methyl-1,3-thiazol-2-yl)stannane |
| InChI Key | LALGELPHLJBAEK-UHFFFAOYSA-N |
| Molecular Formula | C16H31NSSn |
2,6-Dibromopyridine, 98%
CAS: 626-05-1 Molecular Formula: C5H3Br2N Molecular Weight (g/mol): 236.89 InChI Key: FEYDZHNIIMENOB-UHFFFAOYSA-N PubChem CID: 12274 IUPAC Name: 2,6-dibromopyridine SMILES: C1=CC(=NC(=C1)Br)Br
| PubChem CID | 12274 |
|---|---|
| CAS | 626-05-1 |
| Molecular Weight (g/mol) | 236.89 |
| SMILES | C1=CC(=NC(=C1)Br)Br |
| IUPAC Name | 2,6-dibromopyridine |
| InChI Key | FEYDZHNIIMENOB-UHFFFAOYSA-N |
| Molecular Formula | C5H3Br2N |
| CAS | 6322-07-2 |
|---|---|
| MDL Number | MFCD00005391 |
2-Phenylbenzoxazole, 99%
CAS: 833-50-1 Molecular Formula: C13H9NO Molecular Weight (g/mol): 195.221 MDL Number: MFCD00012183 InChI Key: FIISKTXZUZBTRC-UHFFFAOYSA-N Synonym: 2-phenylbenzoxazole,2-phenylbenzo d oxazole,benzoxazole, 2-phenyl,ccris 7874,phenyl-2 benzoxazole french,2-phenyl-benzoxazole,phenyl-2 benzoxazole,2-phenybenzoxazole,2-phenyl benzoxazole,2-phenyl-benzooxazole PubChem CID: 70030 IUPAC Name: 2-phenyl-1,3-benzoxazole SMILES: C1=CC=C(C=C1)C2=NC3=CC=CC=C3O2
| PubChem CID | 70030 |
|---|---|
| CAS | 833-50-1 |
| Molecular Weight (g/mol) | 195.221 |
| MDL Number | MFCD00012183 |
| SMILES | C1=CC=C(C=C1)C2=NC3=CC=CC=C3O2 |
| Synonym | 2-phenylbenzoxazole,2-phenylbenzo d oxazole,benzoxazole, 2-phenyl,ccris 7874,phenyl-2 benzoxazole french,2-phenyl-benzoxazole,phenyl-2 benzoxazole,2-phenybenzoxazole,2-phenyl benzoxazole,2-phenyl-benzooxazole |
| IUPAC Name | 2-phenyl-1,3-benzoxazole |
| InChI Key | FIISKTXZUZBTRC-UHFFFAOYSA-N |
| Molecular Formula | C13H9NO |
Butadiene sulfone, 98%
CAS: 77-79-2 Molecular Formula: C4H6O2S Molecular Weight (g/mol): 118.16 MDL Number: MFCD00005481 InChI Key: MBDNRNMVTZADMQ-UHFFFAOYSA-N Synonym: 3-sulfolene,butadiene sulfone,sulfolene,thiophene, 2,5-dihydro-, 1,1-dioxide,beta-sulfolene,2,5-dihydrothiophene sulfone,2,5-dihydrothiophene dioxide,2,5-dihydrothiophene-1,1-dioxide,sulfol-3-ene,ccris 569 PubChem CID: 6498 IUPAC Name: 2,5-dihydrothiophene 1,1-dioxide SMILES: C1C=CCS1(=O)=O
| PubChem CID | 6498 |
|---|---|
| CAS | 77-79-2 |
| Molecular Weight (g/mol) | 118.16 |
| MDL Number | MFCD00005481 |
| SMILES | C1C=CCS1(=O)=O |
| Synonym | 3-sulfolene,butadiene sulfone,sulfolene,thiophene, 2,5-dihydro-, 1,1-dioxide,beta-sulfolene,2,5-dihydrothiophene sulfone,2,5-dihydrothiophene dioxide,2,5-dihydrothiophene-1,1-dioxide,sulfol-3-ene,ccris 569 |
| IUPAC Name | 2,5-dihydrothiophene 1,1-dioxide |
| InChI Key | MBDNRNMVTZADMQ-UHFFFAOYSA-N |
| Molecular Formula | C4H6O2S |
2,2-Dimethyl-1,3-dioxan-5-one, tech. 90%, Thermo Scientific Chemicals
CAS: 74181-34-3 Molecular Formula: C6H10O3 Molecular Weight (g/mol): 130.143 MDL Number: MFCD00671514 InChI Key: ASFQDNDZFGFMMP-UHFFFAOYSA-N Synonym: 2,2-dimethyl-1,3-dioxane-5-one,2,2-dimethyl-1,3 dioxan-5-one,1,3-dioxan-5-one, 2,2-dimethyl,acmc-1bg7h,ksc496q3n,5-oxo-2,2-dimethyl-1,3-dioxane,2,2-dimethyl-1,3-dioxan-5-one, technical 250mg PubChem CID: 2733141 IUPAC Name: 2,2-dimethyl-1,3-dioxan-5-one SMILES: CC1(OCC(=O)CO1)C
| PubChem CID | 2733141 |
|---|---|
| CAS | 74181-34-3 |
| Molecular Weight (g/mol) | 130.143 |
| MDL Number | MFCD00671514 |
| SMILES | CC1(OCC(=O)CO1)C |
| Synonym | 2,2-dimethyl-1,3-dioxane-5-one,2,2-dimethyl-1,3 dioxan-5-one,1,3-dioxan-5-one, 2,2-dimethyl,acmc-1bg7h,ksc496q3n,5-oxo-2,2-dimethyl-1,3-dioxane,2,2-dimethyl-1,3-dioxan-5-one, technical 250mg |
| IUPAC Name | 2,2-dimethyl-1,3-dioxan-5-one |
| InChI Key | ASFQDNDZFGFMMP-UHFFFAOYSA-N |
| Molecular Formula | C6H10O3 |
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 |
Furazolidone, 98%
CAS: 67-45-8 Molecular Formula: C8H7N3O5 Molecular Weight (g/mol): 225.16 MDL Number: MFCD00010550 InChI Key: PLHJDBGFXBMTGZ-WEVVVXLNSA-N Synonym: furazolidone,furoxone,nitrofurazolidone,furazolidine,nitrofuroxon,furazolidon,diafuron,furaxone,furazol,furazon PubChem CID: 5323714 IUPAC Name: 3-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-one SMILES: C1COC(=O)N1N=CC2=CC=C(O2)[N+](=O)[O-]
| PubChem CID | 5323714 |
|---|---|
| CAS | 67-45-8 |
| Molecular Weight (g/mol) | 225.16 |
| MDL Number | MFCD00010550 |
| SMILES | C1COC(=O)N1N=CC2=CC=C(O2)[N+](=O)[O-] |
| Synonym | furazolidone,furoxone,nitrofurazolidone,furazolidine,nitrofuroxon,furazolidon,diafuron,furaxone,furazol,furazon |
| IUPAC Name | 3-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-one |
| InChI Key | PLHJDBGFXBMTGZ-WEVVVXLNSA-N |
| Molecular Formula | C8H7N3O5 |
(R)-(-)-Epichlorohydrin, 99%
CAS: 51594-55-9 Molecular Formula: C3H5ClO Molecular Weight (g/mol): 92.52 MDL Number: MFCD00077759 InChI Key: BRLQWZUYTZBJKN-VKHMYHEASA-N Synonym: r---epichlorohydrin,r-epichlorohydrin,2r-2-chloromethyl oxirane,--epichlorohydrin,r-chloromethyl oxirane,r-2-chloromethyl oxirane,epichlorohydrin,-,unii-vec01h609i,r-1-chloro-2,3-epoxypropane PubChem CID: 2734062 ChEBI: CHEBI:18662 IUPAC Name: (2R)-2-(chloromethyl)oxirane SMILES: ClC[C@H]1CO1
| PubChem CID | 2734062 |
|---|---|
| CAS | 51594-55-9 |
| Molecular Weight (g/mol) | 92.52 |
| ChEBI | CHEBI:18662 |
| MDL Number | MFCD00077759 |
| SMILES | ClC[C@H]1CO1 |
| Synonym | r---epichlorohydrin,r-epichlorohydrin,2r-2-chloromethyl oxirane,--epichlorohydrin,r-chloromethyl oxirane,r-2-chloromethyl oxirane,epichlorohydrin,-,unii-vec01h609i,r-1-chloro-2,3-epoxypropane |
| IUPAC Name | (2R)-2-(chloromethyl)oxirane |
| InChI Key | BRLQWZUYTZBJKN-VKHMYHEASA-N |
| Molecular Formula | C3H5ClO |