Organoheterocyclic compounds

5-Bromo-2-cyanopyrimidine, 95%

CAS: 38275-57-9 Molecular Formula: C5H2BrN3 Molecular Weight (g/mol): 183.996 MDL Number: MFCD02940446 InChI Key: VPQICCOHFSGBMA-UHFFFAOYSA-N Synonym: 5-bromo-2-cyanopyrimidine,5-bromo-2-pyrimidinecarbonitrile,2-pyrimidinecarbonitrile, 5-bromo,5-bromo-pyrimidine-2-carbonitile,2-cyano-5-bromopyrimidine,pubchem5278,acmc-1ad2b,5-bromo-2-cyano-pyrimidine,ksc497m1f,5-bromo-pyrimidine-2-carbonitrile PubChem CID: 686546 IUPAC Name: 5-bromopyrimidine-2-carbonitrile SMILES: C1=C(C=NC(=N1)C#N)Br

5-Fluorouracil, ∽99%, MP Biomedicals™

CAS: 51-21-8 Molecular Formula: C4H3FN2O2 Molecular Weight (g/mol): 130.08 MDL Number: MFCD00006018 InChI Key: GHASVSINZRGABV-UHFFFAOYSA-N Synonym: 5-fluorouracil,fluorouracil,5-fu,fluoroplex,adrucil,efudex,carac,fluracil,fluoroblastin,kecimeton PubChem CID: 3385 ChEBI: CHEBI:46345 IUPAC Name: 5-fluoro-1,2,3,4-tetrahydropyrimidine-2,4-dione SMILES: FC1=CNC(=O)NC1=O

Thermo Scientific Chemicals 5-Iodouracil, 99%

CAS: 696-07-1 Molecular Formula: C4H3IN2O2 Molecular Weight (g/mol): 237.98 MDL Number: MFCD00006020 InChI Key: KSNXJLQDQOIRIP-UHFFFAOYSA-N Synonym: 5-iodouracil,5-iodopyrimidine-2,4 1h,3h-dione,2,4 1h,3h-pyrimidinedione, 5-iodo,uracil, 5-iodo,5-iodopyrimidine-2,4-diol,2,4-dihydroxy-5-iodopyrimidine,5-iodo uracil,unii-h59brk500m,chembl1173,5-iodo-1,2,3,4-tetrahydropyrimidine-2,4-dione PubChem CID: 69672 ChEBI: CHEBI:43636 IUPAC Name: 5-iodo-1H-pyrimidine-2,4-dione SMILES: IC1=CNC(=O)NC1=O

4(3H)-Pyrimidone, 98+%

Ethyl 5-bromopyrimidine-2-carboxylate, 95%, Thermo Scientific Chemicals

CAS: 1197193-30-8 Molecular Formula: C7H7BrN2O2 Molecular Weight (g/mol): 231.049 MDL Number: MFCD12964050 InChI Key: CZQFHUXIWZYQGP-UHFFFAOYSA-N Synonym: ethyl 5-bromopyrimidine-2-carboxyate,ethyl-5-bromopyrimidine-2-carboxylate,5-bromo-2-pyrimidinecarboxylic acid ethyl ester,ethyl5-bromopyrimidine-2-carboxylate,5-bromopyrimidine-2-carboxylic acid ethyl ester PubChem CID: 52987579 IUPAC Name: ethyl 5-bromopyrimidine-2-carboxylate SMILES: CCOC(=O)C1=NC=C(C=N1)Br

4,6-Dichloropyrimidine, 97%

CAS: 1193-21-1 Molecular Formula: C4H2Cl2N2 Molecular Weight (g/mol): 148.97 MDL Number: MFCD00006109 InChI Key: XJPZKYIHCLDXST-UHFFFAOYSA-N Synonym: pyrimidine, 4,6-dichloro,4,6-dichloro-pyrimidine,4,6-dichloro pyrimidine,4,6-dichloro-1,3-diazine,4,6-dichlorpyrimidin,dichloropyrmidine,dichloropyrimidine,zlchem 225,pubchem6913,4,6-dichloropyrimdine PubChem CID: 70943 IUPAC Name: 4,6-dichloropyrimidine SMILES: ClC1=CC(Cl)=NC=N1

Ethyl 2-amino-4-hydroxypyrimidine-5-carboxylate, 95%

CAS: 15400-53-0 Molecular Formula: C7H9N3O3 Molecular Weight (g/mol): 183.167 MDL Number: MFCD00039708 InChI Key: HRRHGLKNOJHIGY-UHFFFAOYSA-N Synonym: ethyl 2-amino-4-hydroxypyrimidine-5-carboxylate,2-amino-5-carboethoxy-4-hydroxypyrimidine,2-amino-4-hydroxypyrimidine-5-carboxylic acid ethyl ester,ethyl 2-amino-1,4-dihydro-4-oxopyrimidine-5-carboxylate,2-amino-4-hydroxy-pyrimidine-5-carboxylic acid ethyl ester,2-amino-6-oxo-1,6-dihydro-pyrimidine-5-carboxylic acid ethyl ester,5-pyrimidinecarboxylic acid, 2-amino-1,4-dihydro-4-oxo-, ethyl ester,ethyl 2-amino-4-oxo-3h-pyrimidine-5-carboxylate,1rry,acmc-209xd5 PubChem CID: 84894 ChEBI: CHEBI:39721 IUPAC Name: ethyl 2-amino-6-oxo-1H-pyrimidine-5-carboxylate SMILES: CCOC(=O)C1=CN=C(NC1=O)N

4-Benzyloxy-6-chloropyrimidine, 95%

CAS: 405930-65-6 Molecular Formula: C11H9ClN2O Molecular Weight (g/mol): 220.66 MDL Number: MFCD06798234 InChI Key: KXDXFVQZZGSEBU-UHFFFAOYSA-N Synonym: 4-benzyloxy-6-chloropyrimidine,6-benzyloxy-4-chloropyrimidine,pyrimidine, 4-chloro-6-phenylmethoxy,acmc-20amoq,4-chloro-6-benzyloxypyrimidine,pyrimidine,4-chloro-6-phenylmethoxy PubChem CID: 22599871 IUPAC Name: 4-chloro-6-phenylmethoxypyrimidine SMILES: ClC1=NC=NC(OCC2=CC=CC=C2)=C1

Ethyl 2-chloro-4-methylpyrimidine-5-carboxylate, 95%

CAS: 188781-08-0 Molecular Formula: C8H9ClN2O2 Molecular Weight (g/mol): 200.622 MDL Number: MFCD03425963 InChI Key: XJNJPQSXRUJCIB-UHFFFAOYSA-N Synonym: 2-chloro-4-methyl-pyrimidine-5-carboxylic acid ethyl ester,5-pyrimidinecarboxylic acid, 2-chloro-4-methyl-, ethyl ester,2-chloro-5-ethoxycarbonyl-4-methylpyrimidine,ethyl2-chloro-4-methylpyrimidine-5-carboxylate,2-chloro-4-methyl-5-pyrimidinecarboxylic acid ethyl ester PubChem CID: 21220624 IUPAC Name: ethyl 2-chloro-4-methylpyrimidine-5-carboxylate SMILES: CCOC(=O)C1=CN=C(N=C1C)Cl

5-Bromopyrimidine-2-carboxylic acid, 98%, Thermo Scientific Chemicals

CAS: 37131-87-6 Molecular Formula: C5H3BrN2O2 Molecular Weight (g/mol): 202.995 MDL Number: MFCD00496793 InChI Key: XGPTXUYKEDPXCO-UHFFFAOYSA-N Synonym: 5-bromo-pyrimidine-2-carboxylic acid,5-bromo-2-pyrimidinecarboxylic acid,2-pyrimidinecarboxylic acid, 5-bromo,5-bromopyrimidine-2-carboxylicacid,pubchem16922,acmc-1agpr,ksc222c2t,5-bromopyrimidine-2-caboxylic acid,abbypharma ap-10-1676,2-pyrimidinecarboxylicacid, 5-bromo PubChem CID: 16462970 IUPAC Name: 5-bromopyrimidine-2-carboxylic acid SMILES: C1=C(C=NC(=N1)C(=O)O)Br

Thiamine Hydrochloride, USP, 98-102%, Spectrum™ Chemical

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CAS: 67-03-8 Molecular Formula: C12H18Cl2N4OS Molecular Weight (g/mol): 337.26 InChI Key: DPJRMOMPQZCRJU-UHFFFAOYSA-M IUPAC Name: hydrogen 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium dichloride SMILES: [H+].[Cl-].[Cl-].CC1=C(CCO)SC=[N+]1CC1=CN=C(C)N=C1N

Thymine, >99%, MP Biomedicals™

CAS: 65-71-4 Molecular Formula: C5H6N2O2 Molecular Weight (g/mol): 126.115 InChI Key: RWQNBRDOKXIBIV-UHFFFAOYSA-N Synonym: thymine,5-methyluracil,thymin,2,4-dihydroxy-5-methylpyrimidine,thymine anhydrate,2,4 1h,3h-pyrimidinedione, 5-methyl,5-methylpyrimidine-2,4 1h,3h-dione,5-methyl-2,4 1h,3h-pyrimidinedione,thymin purine base,5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione PubChem CID: 1135 ChEBI: CHEBI:17821 IUPAC Name: 5-methyl-1H-pyrimidine-2,4-dione SMILES: CC1=CNC(=O)NC1=O

4,4,5,5-Tetramethyl-2-[4-(thien-2-ylmethyl)phenyl]-1,3,2-dioxaborolane, 97%, Thermo Scientific™

CAS: 1007847-76-8 Molecular Formula: C17H21BO2S Molecular Weight (g/mol): 300.22 MDL Number: MFCD11841077 InChI Key: OPJUSDABOPHYPQ-UHFFFAOYSA-N Synonym: 4,4,5,5-tetramethyl-2-4-thien-2-ylmethyl phenyl-1,3,2-dioxaborolane,4,4,5,5-tetramethyl-2-4-thiophen-2-ylmethyl phenyl-1,3,2-dioxaborolane,4-thien-2-ylmethyl benzeneboronic acid, pinacol ester,4,4,5,5-tetramethyl-2-4-thiophen-2-yl methyl phenyl-1,3,2-dioxaborolane PubChem CID: 43811052 IUPAC Name: 4,4,5,5-tetramethyl-2-[4-(thiophen-2-ylmethyl)phenyl]-1,3,2-dioxaborolane SMILES: CC1(C)OB(OC1(C)C)C1=CC=C(CC2=CC=CS2)C=C1

2-(Ethoxycarbonyl)benzeneboronic acid pinacol ester, 97%, Thermo Scientific Chemicals

CAS: 269409-99-6 Molecular Formula: C15H21BO4 Molecular Weight (g/mol): 276.139 MDL Number: MFCD03453660 InChI Key: RFBZWPFBCXBBJS-UHFFFAOYSA-N Synonym: ethyl 2-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzoate,2-ethoxycarbonylphenylboronic acid pinacol ester,ethyl-2-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzoate,2-ethoxycarbonylphenylboronic acid, pinacol ester,2-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzoic acid ethyl ester,ethyl 2-tetramethyl-1,3,2-dioxaborolan-2-yl benzoate,2-carboethoxyphenylboronic acid pinacol ester,2-ethoxycarbonyl benzeneboronic acid pinacol ester,ethyl 2-4,4,5,5-tetramethyl 1,3,2 dioxaborolan-2-yl benzoate PubChem CID: 2773962 IUPAC Name: ethyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2C(=O)OCC

4-Cyanobenzeneboronic acid pinacol ester, 97%

CAS: 171364-82-2 Molecular Formula: C13H16BNO2 Molecular Weight (g/mol): 229.09 MDL Number: MFCD03093897 InChI Key: HOPDTPGXBZCBNP-UHFFFAOYSA-N Synonym: 4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzonitrile,4-cyanophenylboronic acid pinacol ester,4-cyanobenzeneboronic acid pinacol ester,4-cyanophenylboronic acid, pinacol ester,benzonitrile, 4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl,4-cyanobenzeneboronic acid, pinacol ester,2-4-cyanophenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,4-tetramethyl-1,3,2-dioxaborolan-2-yl benzonitrile,4-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl-benzonitrile,4-cyanophenylboronicacidpinacolester PubChem CID: 2734625 IUPAC Name: 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile SMILES: CC1(C)OB(OC1(C)C)C1=CC=C(C=C1)C#N