Organoheterocyclic compounds

delta-Hexanolactone, 98%

CAS: 823-22-3 Molecular Formula: C6H10O2 Molecular Weight (g/mol): 114.144 MDL Number: MFCD00083574 InChI Key: RZTOWFMDBDPERY-UHFFFAOYSA-N Synonym: delta-hexalactone,delta-hexanolactone,delta-caprolactone,5-methyl-delta-valerolactone,5-hydroxyhexanoic acid lactone,tetrahydro-6-methyl-2h-pyran-2-one,2h-pyran-2-one, tetrahydro-6-methyl,.delta.-caprolactone,6-methylvalerolactone,hexanolactone PubChem CID: 13204 IUPAC Name: 6-methyloxan-2-one SMILES: CC1CCCC(=O)O1

2-Bromopyridine-4-carboxamide, 97%

CAS: 29840-73-1 Molecular Formula: C6H5BrN2O Molecular Weight (g/mol): 201.023 MDL Number: MFCD00234156 InChI Key: KCELTDZFDHPTBI-UHFFFAOYSA-N PubChem CID: 4625407 IUPAC Name: 2-bromopyridine-4-carboxamide SMILES: C1=CN=C(C=C1C(=O)N)Br

3-Methylbenzo[b]thiophene, 98%

CAS: 1455-18-1 Molecular Formula: C9H8S Molecular Weight (g/mol): 148.22 MDL Number: MFCD00040243 InChI Key: SEBRPHZZSLCDRQ-UHFFFAOYSA-N Synonym: 3-methylbenzo b thiophene,3-methylbenzothiophene,3-methylthianaphthene,benzo b thiophene, 3-methyl,3-methylthioindene,benzothiophene, 3-methyl,3-methyl-1-thiaindene,3-methylbenzylthiophene,3-methyl-benzo b thiophene PubChem CID: 73817 IUPAC Name: 3-methyl-1-benzothiophene SMILES: CC1=CSC2=CC=CC=C12

(5-pyrid-4-ylthien-2-yl)methanol, 95%, Thermo Scientific™

CAS: 138194-04-4 Molecular Formula: C10H9NOS Molecular Weight (g/mol): 191.248 MDL Number: MFCD09879963 InChI Key: GDGUQNXUEMPEKM-UHFFFAOYSA-N Synonym: 5-pyrid-4-ylthien-2-yl methanol,5-pyridin-4-yl thiophen-2-yl methanol,5-4-pyridyl-2-thienyl methan-1-ol,5-pyridin-4-ylthiophen-2-yl methanol PubChem CID: 15708918 IUPAC Name: (5-pyridin-4-ylthiophen-2-yl)methanol SMILES: C1=CN=CC=C1C2=CC=C(S2)CO

3-Methylthiophene-2-carboxylic acid, 98%

CAS: 23806-24-8 Molecular Formula: C6H5O2S Molecular Weight (g/mol): 141.16 MDL Number: MFCD00005438 InChI Key: IFLKEBSJTZGCJG-UHFFFAOYSA-M Synonym: 3-methyl-2-thiophenecarboxylic acid,3-methyl-2-thenoic acid,2-thiophenecarboxylic acid, 3-methyl,2-carboxy-3-methylthiophene,3-methyl-2-thiophene carboxylic acid,3-methyl-2-thiophenecarboxylic,3-methyl-thiophene-2-carboxylic acid,3-methyl-2-thiophenecarboxylicacid,pubchem5182,acmc-1cinc PubChem CID: 90269 IUPAC Name: 3-methylthiophene-2-carboxylic acid SMILES: CC1=C(SC=C1)C([O-])=O

(S)-N-BOC-Piperidine-2-carboxylic acid, 98%

CAS: 26250-84-0 MDL Number: MFCD00151904 InChI Key: JQAOHGMPAAWWQO-QMMMGPOBSA-N Synonym: boc-pip-oh,s-1-boc-piperidine-2-carboxylic acid,s-n-boc-piperidine-2-carboxylic acid,s-1-tert-butoxycarbonyl piperidine-2-carboxylic acid,boc-l-pipecolic acid,boc-l-pip-oh,n-boc-l-pipecolinic acid,l-n-boc-pipecolic acid,2s-1-tert-butoxycarbonyl piperidine-2-carboxylic acid,2s-1-tert-butoxy carbonyl piperidine-2-carboxylic acid PubChem CID: 688617 IUPAC Name: (2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid SMILES: CC(C)(C)OC(=O)N1CCCCC1C(=O)O

4-Amino-2-bromopyrimidine-5-carbonitrile, 97%

CAS: 94741-70-5 Molecular Formula: C5H3BrN4 Molecular Weight (g/mol): 199.011 MDL Number: MFCD00173661 InChI Key: CXYLLFGNJJCGHM-UHFFFAOYSA-N Synonym: 4-amino-2-bromo-5-cyanopyrimidine,4-amino-2-bromo-5-pyrimidinecarbonitrile,5-pyrimidinecarbonitrile, 4-amino-2-bromo,4-azanyl-2-bromanyl-pyrimidine-5-carbonitrile,2-bromo-4-amino-5-cyanopyrimidine,acmc-209xix,4-amino-2-bromo-pyrimidine-5-carbonitrile,4-amino-2-bromopyrimidine-5-carbonitrile PubChem CID: 2735285 IUPAC Name: 4-amino-2-bromopyrimidine-5-carbonitrile SMILES: C1=C(C(=NC(=N1)Br)N)C#N

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

Thermo Scientific Chemicals Indomethacin

CAS: 53-86-1 Molecular Formula: C₁₉H₁₆ClNO₄ Molecular Weight (g/mol): 357.79 InChI Key: CGIGDMFJXJATDK-UHFFFAOYSA-N Synonym: indomethacin,indometacin,indocin,indometacine,indomethacine,indocid,metindol,amuno,indomethazine,imbrilon PubChem CID: 3715 ChEBI: CHEBI:49662 IUPAC Name: 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid SMILES: CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O

3,9-Bis(1,1-dimethyl-2-hydroxyethyl)-2,4,8,10-tetraoxaspiro[5.5]undecane, 97%, Thermo Scientific Chemicals

CAS: 1455-42-1 Molecular Formula: C15H28O6 Molecular Weight (g/mol): 304.383 MDL Number: MFCD00059794 InChI Key: BPZIYBJCZRUDEG-UHFFFAOYSA-N Synonym: 2,2'-2,4,8,10-tetraoxaspiro 5.5 undecane-3,9-diyl bis 2-methylpropan-1-ol,3,9-bis 1,1-dimethyl-2-hydroxyethyl-2,4,8,10-tetraoxaspiro 5.5 undecane,cyclic acetal,2-9-1-hydroxy-2-methylpropan-2-yl-2,4,8,10-tetraoxaspiro 5.5 undecan-3-yl-2-methylpropan-1-ol,acmc-209cve,ksc489m7h,2,4,8,10-tetraoxaspiro 5.5 undecane-3,9-diethanol, beta3,beta3,beta9,beta9-tetramethyl,bis hydroxypivalaldehyde pentaerythritolacetal,bis hydroxypivalaldehyde pentaerythritolacetal cyclic acetal,bis hydroxypivalaldehyde pentaerythritol acetal cyclic acetal PubChem CID: 7569008 IUPAC Name: 2-[3-(1-hydroxy-2-methylpropan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropan-1-ol SMILES: CC(C)(CO)C1OCC2(CO1)COC(OC2)C(C)(C)CO

3,4-Methylenedioxyphenylboronic acid, 98%

CAS: 94839-07-3 Molecular Formula: C₇H₇BO₄ Molecular Weight (g/mol): 165.94 MDL Number: MFCD01009695 InChI Key: CMHPUBKZZPSUIQ-UHFFFAOYSA-N Synonym: 3,4-methylenedioxyphenylboronic acid,benzo d 1,3 dioxol-5-ylboronic acid,3,4-methylenedioxy phenylboronic acid,3,4-methylenedioxyphenyl boronic acid,3,4-methylenedioxy benzeneboronic acid,1,3-benzodioxole-5-boronic acid,3,4-methylenedioxybenzeneboronic acid,2h-1,3-benzodioxol-5-yl boronic acid,2h-1,3-benzodioxol-5-yl-boranediol,2h-1,3-benzodioxol-5-ylboronic acid PubChem CID: 2734371 IUPAC Name: 1,3-benzodioxol-5-ylboronic acid SMILES: B(C1=CC2=C(C=C1)OCO2)(O)O

tert-butyl 4-[4-(aminomethyl)benzyloxy]piperidine-1-carboxylate, 90%, Thermo Scientific™

CAS: 946409-35-4 Molecular Formula: C18H28N2O3 Molecular Weight (g/mol): 320.433 MDL Number: MFCD12198114 InChI Key: NZWAUTDCSSMVGG-UHFFFAOYSA-N Synonym: tert-butyl 4-4-aminomethyl benzyloxy piperidine-1-carboxylate,tert-butyl 4-4-aminomethyl phenyl methoxy piperidine-1-carboxylate PubChem CID: 43811047 IUPAC Name: tert-butyl 4-[[4-(aminomethyl)phenyl]methoxy]piperidine-1-carboxylate SMILES: CC(C)(C)OC(=O)N1CCC(CC1)OCC2=CC=C(C=C2)CN

1-n-Hexyltheobromine, 98+%

Furfuryl alcohol, 98%

CAS: 98-00-0 Molecular Formula: C5H6O2 Molecular Weight (g/mol): 98.101 MDL Number: MFCD00003252 InChI Key: XPFVYQJUAUNWIW-UHFFFAOYSA-N Synonym: furfuryl alcohol,2-furanmethanol,2-furylmethanol,2-furancarbinol,2-furylcarbinol,furfuranol,2-furanylmethanol,furfural alcohol,2-furfuryl alcohol,5-hydroxymethylfuran PubChem CID: 7361 ChEBI: CHEBI:207496 IUPAC Name: furan-2-ylmethanol SMILES: C1=COC(=C1)CO

(4R,6R)-tert-Butyl-6-cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetate, 97%, Thermo Scientific™

CAS: 125971-94-0 Molecular Formula: C14H23NO4 Molecular Weight (g/mol): 269.34 MDL Number: MFCD03093958 InChI Key: DPNRMEJBKMQHMC-GHMZBOCLSA-N Synonym: 4r,6r-tert-butyl-6-cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetate,tert-butyl 4r,6r-6-cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetate,tert-butyl 2-4r,6r-6-cyanomethyl-2,2-dimethyl-1,3-dioxan-4-yl acetate,4r,6r-t-butyl-6-cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetate,4r-cis-1,1-dimethylethyl-6-cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetate,pubchem5924,3r,5r-6-cyano-3,5-isopropylidenebisoxy hexanoic acid tert-butyl ester,4r,3r-tert-butyl-6-cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetate,4r,6r-tert-butyl-6-cyanomethyl-2,2-dimethyl-1,3-dioxane-4acetate PubChem CID: 2734287 IUPAC Name: tert-butyl 2-[(4R,6R)-6-(cyanomethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate SMILES: CC(C)(C)OC(=O)C[C@H]1C[C@@H](CC#N)OC(C)(C)O1