Organoheterocyclic compounds
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2-Methyl-4-phenyl-5-pyrimidinecarboxylic acid, 97%, Thermo Scientific™
CAS: 127958-10-5 Molecular Formula: C12H10N2O2 Molecular Weight (g/mol): 214.224 MDL Number: MFCD02682072 InChI Key: XKJAQESOTNACHT-UHFFFAOYSA-N PubChem CID: 2776510 IUPAC Name: 2-methyl-4-phenylpyrimidine-5-carboxylic acid SMILES: CC1=NC=C(C(=N1)C2=CC=CC=C2)C(=O)O
| PubChem CID | 2776510 |
|---|---|
| CAS | 127958-10-5 |
| Molecular Weight (g/mol) | 214.224 |
| MDL Number | MFCD02682072 |
| SMILES | CC1=NC=C(C(=N1)C2=CC=CC=C2)C(=O)O |
| IUPAC Name | 2-methyl-4-phenylpyrimidine-5-carboxylic acid |
| InChI Key | XKJAQESOTNACHT-UHFFFAOYSA-N |
| Molecular Formula | C12H10N2O2 |
2,4-Dioxo-1,2,3,4-tetrahydro-5-pyrimidinylboronic acid, 97%, Thermo Scientific™
CAS: 70523-22-7 Molecular Formula: C4H5BN2O4 Molecular Weight (g/mol): 155.90 MDL Number: MFCD01318983 InChI Key: PVEJOCQTIVCDNO-UHFFFAOYSA-N Synonym: uracil-5-boronic acid,2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl boronic acid,2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinylboronic acid,2,4-dihydroxypyrimidine-5-boronic acid,2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-ylboronic acid,2,4-dihydroxypyrimidin-5-ylboronic acid,2,4-dioxo-1h-pyrimidin-5-yl boronic acid,2,4-dioxo-1,3-dihydropyrimidin-5-ylboronic acid,t6mvmvj ebqq wln,5-dihydroxyboryluracil PubChem CID: 256205 IUPAC Name: (2,4-dioxo-1H-pyrimidin-5-yl)boronic acid SMILES: OB(O)C1=CNC(=O)NC1=O
| PubChem CID | 256205 |
|---|---|
| CAS | 70523-22-7 |
| Molecular Weight (g/mol) | 155.90 |
| MDL Number | MFCD01318983 |
| SMILES | OB(O)C1=CNC(=O)NC1=O |
| Synonym | uracil-5-boronic acid,2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl boronic acid,2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinylboronic acid,2,4-dihydroxypyrimidine-5-boronic acid,2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-ylboronic acid,2,4-dihydroxypyrimidin-5-ylboronic acid,2,4-dioxo-1h-pyrimidin-5-yl boronic acid,2,4-dioxo-1,3-dihydropyrimidin-5-ylboronic acid,t6mvmvj ebqq wln,5-dihydroxyboryluracil |
| IUPAC Name | (2,4-dioxo-1H-pyrimidin-5-yl)boronic acid |
| InChI Key | PVEJOCQTIVCDNO-UHFFFAOYSA-N |
| Molecular Formula | C4H5BN2O4 |
Ethyl 2-(trifluoromethyl)-4-methyl-5-pyrimidine carboxylate, Thermo Scientific™
CAS: 306960-67-8 Molecular Formula: C9H9F3N2O2 Molecular Weight (g/mol): 234.178 InChI Key: LYEKBQSEKSEXLT-UHFFFAOYSA-N Synonym: ethyl 4-methyl-2-trifluoromethyl pyrimidine-5-carboxylate,ethyl 2-trifluoromethyl-4-methyl-5-pyrimidine carboxylate,ethyl 2-trifluoromethyl-4-methylpyrimidine-5-carboxylate,ethyl-2-trifluoromethyl-4-methyl-5-pyrimidine carboxylate,ethyl4-methyl-2-trifluoromethyl pyrimidine-5-carboxylate,5-pyrimidinecarboxylicacid, 4-methyl-2-trifluoromethyl-, ethyl ester PubChem CID: 10609709 IUPAC Name: ethyl 4-methyl-2-(trifluoromethyl)pyrimidine-5-carboxylate SMILES: CCOC(=O)C1=CN=C(N=C1C)C(F)(F)F
| PubChem CID | 10609709 |
|---|---|
| CAS | 306960-67-8 |
| Molecular Weight (g/mol) | 234.178 |
| SMILES | CCOC(=O)C1=CN=C(N=C1C)C(F)(F)F |
| Synonym | ethyl 4-methyl-2-trifluoromethyl pyrimidine-5-carboxylate,ethyl 2-trifluoromethyl-4-methyl-5-pyrimidine carboxylate,ethyl 2-trifluoromethyl-4-methylpyrimidine-5-carboxylate,ethyl-2-trifluoromethyl-4-methyl-5-pyrimidine carboxylate,ethyl4-methyl-2-trifluoromethyl pyrimidine-5-carboxylate,5-pyrimidinecarboxylicacid, 4-methyl-2-trifluoromethyl-, ethyl ester |
| IUPAC Name | ethyl 4-methyl-2-(trifluoromethyl)pyrimidine-5-carboxylate |
| InChI Key | LYEKBQSEKSEXLT-UHFFFAOYSA-N |
| Molecular Formula | C9H9F3N2O2 |
3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline, 97%
CAS: 210907-84-9 Molecular Formula: C12H18BNO2 Molecular Weight (g/mol): 219.09 MDL Number: MFCD03453668 InChI Key: YMXIIVIQLHYKOT-UHFFFAOYSA-N Synonym: 3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl aniline,3-aminophenylboronic acid pinacol ester,benzenamine, 3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl,3-aminophenylboronic acid, pinacol ester,3-tetramethyl-1,3,2-dioxaborolan-2-yl aniline,3-aminobenzeneboronic acid pinacol ester,3-aminophenylboronic acid, pinacol cyclic ester,3-aminophenylboronicacidpinacolester,apbe,amtb060 PubChem CID: 2734655 IUPAC Name: 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline SMILES: CC1(C)OB(OC1(C)C)C1=CC=CC(N)=C1
| PubChem CID | 2734655 |
|---|---|
| CAS | 210907-84-9 |
| Molecular Weight (g/mol) | 219.09 |
| MDL Number | MFCD03453668 |
| SMILES | CC1(C)OB(OC1(C)C)C1=CC=CC(N)=C1 |
| Synonym | 3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl aniline,3-aminophenylboronic acid pinacol ester,benzenamine, 3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl,3-aminophenylboronic acid, pinacol ester,3-tetramethyl-1,3,2-dioxaborolan-2-yl aniline,3-aminobenzeneboronic acid pinacol ester,3-aminophenylboronic acid, pinacol cyclic ester,3-aminophenylboronicacidpinacolester,apbe,amtb060 |
| IUPAC Name | 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline |
| InChI Key | YMXIIVIQLHYKOT-UHFFFAOYSA-N |
| Molecular Formula | C12H18BNO2 |
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine, 97%
CAS: 181219-01-2 Molecular Formula: C11H16BNO2 Molecular Weight (g/mol): 205.06 MDL Number: MFCD01319051 InChI Key: NLTIETZTDSJANS-UHFFFAOYSA-N Synonym: 4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyridine,4-pyridineboronic acid pinacol ester,pyridine-4-boronic acid pinacol ester,4-pyridylboronic acid pinacol ester,pyridine-4-boronic acid, pinacol ester,4-tetramethyl-1,3,2-dioxaborolan-2-yl pyridine,pyridine-4-boronic pinacolate,pyridine-4-boronic acid pinacol cyclic ester,2-4-pyridyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,pyridine-4-boronic pinacol ester PubChem CID: 2734648 IUPAC Name: 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine SMILES: CC1(C)OB(OC1(C)C)C1=CC=NC=C1
| PubChem CID | 2734648 |
|---|---|
| CAS | 181219-01-2 |
| Molecular Weight (g/mol) | 205.06 |
| MDL Number | MFCD01319051 |
| SMILES | CC1(C)OB(OC1(C)C)C1=CC=NC=C1 |
| Synonym | 4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyridine,4-pyridineboronic acid pinacol ester,pyridine-4-boronic acid pinacol ester,4-pyridylboronic acid pinacol ester,pyridine-4-boronic acid, pinacol ester,4-tetramethyl-1,3,2-dioxaborolan-2-yl pyridine,pyridine-4-boronic pinacolate,pyridine-4-boronic acid pinacol cyclic ester,2-4-pyridyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,pyridine-4-boronic pinacol ester |
| IUPAC Name | 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine |
| InChI Key | NLTIETZTDSJANS-UHFFFAOYSA-N |
| Molecular Formula | C11H16BNO2 |
LiChropur™ 4-(Dimethylamino)azobenzene-4-sulfonyl chloride, 98.0-102.0% (AT), MilliporeSigma™ Supelco™
MDL Number: MFCD00007444 Synonym: 4-(4-Dimethylaminophenylazo)benzenesulfonyl chloride; DABS-Cl; Dabsyl chloride
| MDL Number | MFCD00007444 |
|---|---|
| Synonym | 4-(4-Dimethylaminophenylazo)benzenesulfonyl chloride; DABS-Cl; Dabsyl chloride |
Ethyl isodehydroacetate, 95%, Thermo Scientific™
CAS: 3385-34-0 Molecular Formula: C10H12O4 Molecular Weight (g/mol): 196.20 MDL Number: MFCD00006643 InChI Key: FBPWNVQUVXSXKS-UHFFFAOYSA-N Synonym: ethyl isodehydroacetate,ethyl 4,6-dimethyl-2-oxo-2h-pyran-5-carboxylate,ethyl isodehydracetate,5-carbethoxy-4,6-dimethyl-2-pyrone,2h-pyran-5-carboxylic acid, 4,6-dimethyl-2-oxo-, ethyl ester,ethyl 4,6-dimethyl-5-coumalate,2,4-dimethyl-6-oxo-6h-pyran-3-carboxylic acid ethyl ester,ethylisodehydroacetate,ethyl 4,6-dimethyl-2-oxopyran-5-carboxylate,acmc-20am57 PubChem CID: 76918 IUPAC Name: ethyl 2,4-dimethyl-6-oxopyran-3-carboxylate SMILES: CCOC(=O)C1=C(C)OC(=O)C=C1C
| PubChem CID | 76918 |
|---|---|
| CAS | 3385-34-0 |
| Molecular Weight (g/mol) | 196.20 |
| MDL Number | MFCD00006643 |
| SMILES | CCOC(=O)C1=C(C)OC(=O)C=C1C |
| Synonym | ethyl isodehydroacetate,ethyl 4,6-dimethyl-2-oxo-2h-pyran-5-carboxylate,ethyl isodehydracetate,5-carbethoxy-4,6-dimethyl-2-pyrone,2h-pyran-5-carboxylic acid, 4,6-dimethyl-2-oxo-, ethyl ester,ethyl 4,6-dimethyl-5-coumalate,2,4-dimethyl-6-oxo-6h-pyran-3-carboxylic acid ethyl ester,ethylisodehydroacetate,ethyl 4,6-dimethyl-2-oxopyran-5-carboxylate,acmc-20am57 |
| IUPAC Name | ethyl 2,4-dimethyl-6-oxopyran-3-carboxylate |
| InChI Key | FBPWNVQUVXSXKS-UHFFFAOYSA-N |
| Molecular Formula | C10H12O4 |
2-Aminobenzeneboronic acid pinacol ester, 97%
CAS: 191171-55-8 Molecular Formula: C12H18BNO2 Molecular Weight (g/mol): 219.09 MDL Number: MFCD02179448 InChI Key: ZCJRWQDZPIIYLM-UHFFFAOYSA-N Synonym: 2-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl aniline,2-aminophenylboronic acid pinacol ester,2-aminophenylboronic acid, pinacol ester,2-aminophenylboronicacidpinacolester,2-aminophenylboronic acid pinacol cyclic ester,2-aminobenzeneboronic acid pinacol ester,2-aminophenyl boronic acid pinacol ester,2-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzenamine,2-tetramethyl-1,3,2-dioxaborolan-2-yl aniline,benzenamine, 2-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl PubChem CID: 2734652 IUPAC Name: 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline SMILES: CC1(C)OB(OC1(C)C)C1=CC=CC=C1N
| PubChem CID | 2734652 |
|---|---|
| CAS | 191171-55-8 |
| Molecular Weight (g/mol) | 219.09 |
| MDL Number | MFCD02179448 |
| SMILES | CC1(C)OB(OC1(C)C)C1=CC=CC=C1N |
| Synonym | 2-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl aniline,2-aminophenylboronic acid pinacol ester,2-aminophenylboronic acid, pinacol ester,2-aminophenylboronicacidpinacolester,2-aminophenylboronic acid pinacol cyclic ester,2-aminobenzeneboronic acid pinacol ester,2-aminophenyl boronic acid pinacol ester,2-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzenamine,2-tetramethyl-1,3,2-dioxaborolan-2-yl aniline,benzenamine, 2-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl |
| IUPAC Name | 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline |
| InChI Key | ZCJRWQDZPIIYLM-UHFFFAOYSA-N |
| Molecular Formula | C12H18BNO2 |
L-Pyroglutamic Acid, Spectrum™ Chemical
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CAS: 98-79-3
| CAS | 98-79-3 |
|---|
4-chloro-5-(2-thienyl)thieno[2,3-d]pyrimidine, 97%, Thermo Scientific™
CAS: 189681-04-7 Molecular Formula: C10H5ClN2S2 Molecular Weight (g/mol): 252.73 MDL Number: MFCD00174019 InChI Key: VNWBUFWVNCUUKY-UHFFFAOYSA-N Synonym: 4-chloro-5-2-thienyl thieno 2,3-d pyrimidine,4-chloro-5-thiophen-2-yl thieno 2,3-d pyrimidine,thieno 2,3-d pyrimidine,4-chloro-5-2-thienyl,4-chloro-5-2-thienyl thiopheno 2,3-d pyrimidine,4-chloro-5-thiophen-2-ylthieno 2,3-d pyrimidine PubChem CID: 735732 SMILES: ClC1=C2C(SC=C2C2=CC=CS2)=NC=N1
| PubChem CID | 735732 |
|---|---|
| CAS | 189681-04-7 |
| Molecular Weight (g/mol) | 252.73 |
| MDL Number | MFCD00174019 |
| SMILES | ClC1=C2C(SC=C2C2=CC=CS2)=NC=N1 |
| Synonym | 4-chloro-5-2-thienyl thieno 2,3-d pyrimidine,4-chloro-5-thiophen-2-yl thieno 2,3-d pyrimidine,thieno 2,3-d pyrimidine,4-chloro-5-2-thienyl,4-chloro-5-2-thienyl thiopheno 2,3-d pyrimidine,4-chloro-5-thiophen-2-ylthieno 2,3-d pyrimidine |
| InChI Key | VNWBUFWVNCUUKY-UHFFFAOYSA-N |
| Molecular Formula | C10H5ClN2S2 |
5-[5-(2-Thienyl)-2-thienyl]thiophene-2-carbaldehyde, Thermo Scientific™
CAS: 7342-41-8 Molecular Formula: C13H8OS3 Molecular Weight (g/mol): 276.39 MDL Number: MFCD00115181 InChI Key: PMPDDPJYARBNGV-UHFFFAOYSA-N Synonym: 2,2':5',2-terthiophene-5-carboxaldehyde,5-5-2-thienyl-2-thienyl thiophene-2-carbaldehyde,2,2':5',2-terthiophene-5-carbaldehyde,5-formyl-2,2':5',2-terthiophene,chembl91933,5-5-thiophen-2-ylthiophen-2-yl thiophene-2-carbaldehyde,5-5-thiophen-2-yl thiophen-2-yl thiophene-2-carbaldehyde,2-formyl-alpha-terthienyl PubChem CID: 454742 SMILES: O=CC1=CC=C(S1)C1=CC=C(S1)C1=CC=CS1
| PubChem CID | 454742 |
|---|---|
| CAS | 7342-41-8 |
| Molecular Weight (g/mol) | 276.39 |
| MDL Number | MFCD00115181 |
| SMILES | O=CC1=CC=C(S1)C1=CC=C(S1)C1=CC=CS1 |
| Synonym | 2,2':5',2-terthiophene-5-carboxaldehyde,5-5-2-thienyl-2-thienyl thiophene-2-carbaldehyde,2,2':5',2-terthiophene-5-carbaldehyde,5-formyl-2,2':5',2-terthiophene,chembl91933,5-5-thiophen-2-ylthiophen-2-yl thiophene-2-carbaldehyde,5-5-thiophen-2-yl thiophen-2-yl thiophene-2-carbaldehyde,2-formyl-alpha-terthienyl |
| InChI Key | PMPDDPJYARBNGV-UHFFFAOYSA-N |
| Molecular Formula | C13H8OS3 |
Melatonin, Powder, 96%, Spectrum™ Chemical
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CAS: 73-31-4
| CAS | 73-31-4 |
|---|
Hydralazine Hydrochloride, 99%, Spectrum™ Chemical
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CAS: 304-20-1 Molecular Formula: C8H9ClN4 Molecular Weight (g/mol): 196.64 InChI Key: ZUXNZUWOTSUBMN-UHFFFAOYSA-N IUPAC Name: hydrogen 1-hydrazinylphthalazine chloride SMILES: [H+].[Cl-].NNC1=C2C=CC=CC2=CN=N1
| CAS | 304-20-1 |
|---|---|
| Molecular Weight (g/mol) | 196.64 |
| SMILES | [H+].[Cl-].NNC1=C2C=CC=CC2=CN=N1 |
| IUPAC Name | hydrogen 1-hydrazinylphthalazine chloride |
| InChI Key | ZUXNZUWOTSUBMN-UHFFFAOYSA-N |
| Molecular Formula | C8H9ClN4 |
3-(1H-1,2,4-triazol-1-ylmethyl)benzonitrile, ≥97%, Thermo Scientific™
CAS: 876728-37-9 Molecular Formula: C10H8N4 Molecular Weight (g/mol): 184.20 MDL Number: MFCD08271931 InChI Key: ZYQNZNVPCHZDLT-UHFFFAOYSA-N Synonym: 3-1h-1,2,4-triazol-1-ylmethyl benzonitrile,3-1,2,4-triazol-1-ylmethyl benzonitrile,3-1h-1,2,4-triazol-1-yl methyl benzonitrile,3-1,2,4-triazolylmethyl benzenecarbonitrile,benzonitrile,3-1h-1,2,4-triazol-1-ylmethyl PubChem CID: 22360594 IUPAC Name: 3-(1,2,4-triazol-1-ylmethyl)benzonitrile SMILES: N#CC1=CC(CN2C=NC=N2)=CC=C1
| PubChem CID | 22360594 |
|---|---|
| CAS | 876728-37-9 |
| Molecular Weight (g/mol) | 184.20 |
| MDL Number | MFCD08271931 |
| SMILES | N#CC1=CC(CN2C=NC=N2)=CC=C1 |
| Synonym | 3-1h-1,2,4-triazol-1-ylmethyl benzonitrile,3-1,2,4-triazol-1-ylmethyl benzonitrile,3-1h-1,2,4-triazol-1-yl methyl benzonitrile,3-1,2,4-triazolylmethyl benzenecarbonitrile,benzonitrile,3-1h-1,2,4-triazol-1-ylmethyl |
| IUPAC Name | 3-(1,2,4-triazol-1-ylmethyl)benzonitrile |
| InChI Key | ZYQNZNVPCHZDLT-UHFFFAOYSA-N |
| Molecular Formula | C10H8N4 |
4,5-Dibromo-2-phenyl-2,3-dihydropyridazin-3-one, 97%, Thermo Scientific™
CAS: 14305-08-9 Molecular Formula: C10H6Br2N2O Molecular Weight (g/mol): 329.979 MDL Number: MFCD00052907 InChI Key: NQJXEMRMTOSSBQ-UHFFFAOYSA-N Synonym: 4,5-dibromo-2-phenylpyridazin-3 2h-one,4,5-dibromo-2-phenyl-2,3-dihydropyridazin-3-one,4,5-dibromo-2-phenyl-3 2h-pyridazinone,3 2h-pyridazinone, 4,5-dibromo-2-phenyl,4,5-dibromo-2-phenyl-3-pyridazinone,4,5-dibromo-2-phenyl-pyridazin-3-one,2-phenyl-4,5-dibromo-3 2h-pyridazinone,3 2h-pyridazinone,4,5-dibromo-2-phenyl,4,5-bis bromanyl-2-phenyl-pyridazin-3-one,4,5-dibromo-2-phenyl-2-hydropyridazin-3-one PubChem CID: 203396 IUPAC Name: 4,5-dibromo-2-phenylpyridazin-3-one SMILES: C1=CC=C(C=C1)N2C(=O)C(=C(C=N2)Br)Br
| PubChem CID | 203396 |
|---|---|
| CAS | 14305-08-9 |
| Molecular Weight (g/mol) | 329.979 |
| MDL Number | MFCD00052907 |
| SMILES | C1=CC=C(C=C1)N2C(=O)C(=C(C=N2)Br)Br |
| Synonym | 4,5-dibromo-2-phenylpyridazin-3 2h-one,4,5-dibromo-2-phenyl-2,3-dihydropyridazin-3-one,4,5-dibromo-2-phenyl-3 2h-pyridazinone,3 2h-pyridazinone, 4,5-dibromo-2-phenyl,4,5-dibromo-2-phenyl-3-pyridazinone,4,5-dibromo-2-phenyl-pyridazin-3-one,2-phenyl-4,5-dibromo-3 2h-pyridazinone,3 2h-pyridazinone,4,5-dibromo-2-phenyl,4,5-bis bromanyl-2-phenyl-pyridazin-3-one,4,5-dibromo-2-phenyl-2-hydropyridazin-3-one |
| IUPAC Name | 4,5-dibromo-2-phenylpyridazin-3-one |
| InChI Key | NQJXEMRMTOSSBQ-UHFFFAOYSA-N |
| Molecular Formula | C10H6Br2N2O |