Organoheterocyclic compounds
(S)-1,2,3,4-Tetrahydroisoquinolylmethan-3-ol, 98%, Thermo Scientific™
CAS: 18881-17-9 Molecular Formula: C10H13NO Molecular Weight (g/mol): 163.22 MDL Number: MFCD01631316 InChI Key: ZSKDXMLMMQFHGW-JTQLQIEISA-N Synonym: s-1,2,3,4-tetrahydroisoquinoline-3-methanol,3s-1,2,3,4-tetrahydroisoquinolin-3-ylmethanol,s-1,2,3,4-tetrahydroisoquinolin-3-yl methanol,3s-1,2,3,4-tetrahydroisoquinolin-3-yl methanol,chembl61489,s-1,2,3,4-tetrahydroisoquinolin-3-yl-methanol,s---1,2,3,4-tetrahydro-3-isoquinolinemethanol,s-3-hydroxymethyl-1,2,3,4-tetrahydroisoquinoline,3-isoquinolinemethanol, 1,2,3,4-tetrahydro-, s,s-1,2,3,4-tetrahydroisoquinolylmethan-3-ol PubChem CID: 776757 IUPAC Name: [(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol SMILES: C1C(NCC2=CC=CC=C21)CO
1-Benzylpiperidine, 98%
CAS: 2905-56-8 Molecular Formula: C12H18ClN Molecular Weight (g/mol): 211.73 MDL Number: MFCD00224901 InChI Key: MPPIBJJDFLONMO-UHFFFAOYSA-N Synonym: piperidine, 1-phenylmethyl,benzylpiperidine,unii-7hze16210b,n-benzylpiperidine,benzyl-piperidine,n-benzyl piperidine,n-benzyl-piperidine,1-benzyl-piperidine,acmc-20a2pl PubChem CID: 76190 SMILES: [H+].[Cl-].C(N1CCCCC1)C1=CC=CC=C1
(2R,3S)-3-(N-BOC-amino)-1-oxirane-4-phenylbutane, 98%, Thermo Scientific™
CAS: 98760-08-8 Molecular Formula: C15H21NO3 Molecular Weight (g/mol): 263.34 MDL Number: MFCD00671705,MFCD02258997 InChI Key: NVPOUMXZERMIJK-UHFFFAOYNA-N Synonym: 2r,3s-3-tert-butoxycarbonyl amino-1,2-epoxy-4-phenylbutane,2r,3s-1,2-epoxy-3-boc-amino-4-phenylbutane,tert-butyl s-1-r-oxiran-2-yl-2-phenylethyl carbamate,tert-butyl 1s,2r-oxiranyl-2-phenylethyl carbamate,threo-n-boc-l-phenylalanine epoxide,tert-butyl n-1s-1-2r-oxiran-2-yl-2-phenylethyl carbamate,2r,3s-3-n-boc-amino-1-oxirane-4-phenylbutane,2r,3s-3-tert-boc amino-1,2-epoxy-4-phenylbutane,atazanavir impurity c,pubchem5823 PubChem CID: 9813904 IUPAC Name: tert-butyl N-[(1S)-1-[(2R)-oxiran-2-yl]-2-phenylethyl]carbamate SMILES: CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C1CO1
Allyl Glycidyl Ether, 99+%
CAS: 106-92-3 Molecular Formula: C6H10O2 Molecular Weight (g/mol): 114.14 MDL Number: MFCD00005143 InChI Key: LSWYGACWGAICNM-UHFFFAOYSA-N Synonym: allyl glycidyl ether,glycidyl allyl ether,allylglycidaether,oxirane, 2-propenyloxy methyl,allyl 2,3-epoxypropyl ether,allil-glicidil-etere,neoallyl g,1,2-epoxy-3-allyloxypropane,1-allyloxy-2,3-epoxypropane,santolin xi PubChem CID: 7838 IUPAC Name: 2-(prop-2-enoxymethyl)oxirane SMILES: C=CCOCC1CO1
Cyanuric chloride, 99%
CAS: 108-77-0 Molecular Formula: C3Cl3N3 Molecular Weight (g/mol): 184.40 MDL Number: MFCD00006046 InChI Key: MGNCLNQXLYJVJD-UHFFFAOYSA-N Synonym: cyanuric chloride,cyanuryl chloride,cyanuric acid chloride,s-triazine trichloride,trichlorocyanidine,cyanuric trichloride,tricyanogen chloride,sym-trichlorotriazine,cyanur chloride,trichloro-s-triazine PubChem CID: 7954 ChEBI: CHEBI:58964 SMILES: ClC1=NC(Cl)=NC(Cl)=N1
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
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
1-Methyl-1H-1,2,3-benzotriazole-5-carboxylic acid, 97%, Thermo Scientific™
CAS: 305381-67-3 Molecular Formula: C8H7N3O2 Molecular Weight (g/mol): 177.163 MDL Number: MFCD03086163 InChI Key: SGHWYTLJLHVIBQ-UHFFFAOYSA-N Synonym: 1-methyl-1h-1,2,3-benzotriazole-5-carboxylic acid,1-methyl-1h-benzo d 1,2,3 triazole-5-carboxylic acid,1-methyl-1h-benzotriazole-5-carboxylic acid,1h-benzotriazole-5-carboxylic acid, 1-methyl,1-methyl-1,2,3-benzotriazole-5-carboxylic acid,1-methyl-5-benzotriazolecarboxylic acid,1h-benzotriazole-5-carboxylicacid, 1-methyl PubChem CID: 2776549 IUPAC Name: 1-methylbenzotriazole-5-carboxylic acid SMILES: CN1C2=C(C=C(C=C2)C(=O)O)N=N1
Ethyl 1-benzofuran-3-ylacetate, ≥97%, Thermo Scientific™
CAS: 82156-58-9 Molecular Formula: C12H12O3 Molecular Weight (g/mol): 204.23 MDL Number: MFCD08060514 InChI Key: LSGDCGDXQLDKGO-UHFFFAOYSA-N Synonym: ethyl 2-benzofuran-3-yl acetate,ethyl 1-benzofuran-3-ylacetate,ethyl 2-1-benzofuran-3-yl acetate,ethyl benzo b furan-3-acetate,ethyl2-benzofuran-3-yl acetate,ethyl-1-benzofuran-3-yl acetate,ethyl 2-benzo b furan-3-ylacetate,3-benzofuranaceticacid, ethyl ester,3-benzofuranacetic acid, ethyl ester,benzofuran-3-acetic acid ethyl ester PubChem CID: 7537531 IUPAC Name: ethyl 2-(1-benzofuran-3-yl)acetate SMILES: CCOC(=O)CC1=COC2=CC=CC=C12
Ethyl 5-(2-furyl)-1-methyl-1H-pyrazole-3-carboxylate, 97%, Thermo Scientific™
CAS: 104296-35-7 Molecular Formula: C11H12N2O3 Molecular Weight (g/mol): 220.228 MDL Number: MFCD08271949 InChI Key: QEOVLTVAGMDVLQ-UHFFFAOYSA-N Synonym: ethyl 5-furan-2-yl-1-methyl-1h-pyrazole-3-carboxylate,ethyl 5-2-furyl-1-methyl-1h-pyrazole-3-carboxylate,ethyl 5-furan-2-yl-1-methylpyrazole-3-carboxylate,3-ethoxycarbonyl-5-2-furyl-1-methylpyrazole,1h-pyrazole-3-carboxylicacid, 5-2-furanyl-1-methyl-, ethyl ester,acmc-20m73c,ethyl 5-2-furyl-1-methylpyrazole-3-carboxylate,1-methyl-5-2-furyl-1h-pyrazole-3-carboxylic acid ethyl ester,1h-pyrazole-3-carboxylicacid,5-2-furanyl-1-methyl-,ethyl ester PubChem CID: 7537640 IUPAC Name: ethyl 5-(furan-2-yl)-1-methylpyrazole-3-carboxylate SMILES: CCOC(=O)C1=NN(C(=C1)C2=CC=CO2)C
3-(4-Methylpiperazin-1-yl)aniline, 97%, Thermo Scientific™
CAS: 148546-99-0 Molecular Formula: C11H17N3 Molecular Weight (g/mol): 191.278 InChI Key: RJGHJWKQCJAJEP-UHFFFAOYSA-N Synonym: 3-4-methylpiperazin-1-yl aniline,3-4-methyl-1-piperazinyl aniline,3-4-methylpiperazin-1-yl benzenamine,benzenamine, 3-4-methyl-1-piperazinyl,zlchem 128,acmc-20a0ig,ksc496g5r,3-4-methyl-piperazin-1-ylaniline,3-4-methylpiperazinyl phenylamine,3-4-methylpiperazine-1-yl aniline PubChem CID: 11564613 IUPAC Name: 3-(4-methylpiperazin-1-yl)aniline SMILES: CN1CCN(CC1)C2=CC(=CC=C2)N
tert-Butyl 4-(5-iodopyrid-2-yl)piperazine-1-carboxylate, ≥97%, Thermo Scientific™
CAS: 497915-42-1 Molecular Formula: C14H20IN3O2 Molecular Weight (g/mol): 389.24 MDL Number: MFCD07781193 InChI Key: RJHWOWJRQNENIC-UHFFFAOYSA-N Synonym: 1-boc-4-5-iodo-2-pyridyl piperazine,tert-butyl 4-5-iodopyridin-2-yl piperazine-1-carboxylate,tert-butyl 4-5-iodopyrid-2-yl piperazine-1-carboxylate,1-boc-4-5-iodopyridin-2-yl piperazine,4-5-iodopyridin-2-yl piperazine-1-carboxylic acid tert-butyl ester,acmc-1aoz2,tert-butyl 4-5-iodanylpyridin-2-yl piperazine-1-carboxylate,4-5-iodo-2-pyridinyl-1-piperazinecarboxylic acid tert-butyl ester,1-piperazinecarboxylicacid,4-5-iodo-2-pyridinyl-,1,1-dimethylethyl ester PubChem CID: 7164639 IUPAC Name: tert-butyl 4-(5-iodopyridin-2-yl)piperazine-1-carboxylate SMILES: CC(C)(C)OC(=O)N1CCN(CC1)C1=NC=C(I)C=C1
tert-Butyl 4-(2-formylphenyl)piperazine-1-carboxylate, 97%, Thermo Scientific™
CAS: 174855-57-3 Molecular Formula: C16H22N2O3 Molecular Weight (g/mol): 290.363 MDL Number: MFCD05864664 InChI Key: FGJACYJASSSXNJ-UHFFFAOYSA-N Synonym: 1-boc-4-2-formylphenyl piperazine,tert-butyl 4-2-formylphenyl piperazine-1-carboxylate,4-2-formylphenyl piperazine-1-carboxylic acid tert-butyl ester,tert-butyl 4-2-formylphenyl piperazinecarboxylate,4-2-formyl-phenyl-piperazine-1-carboxylic acid tert-butyl ester,acmc-20a0zo,n-boc-4-2-formylphenyl-piperazine,1-n-boc-4-2-formylphenyl piperazine,1-boc-4-2-formyl-phenyl-piperazine PubChem CID: 6490990 IUPAC Name: tert-butyl 4-(2-formylphenyl)piperazine-1-carboxylate SMILES: CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=CC=C2C=O
tert-Butyl 4-(3-aminobenzyl)piperazine-1-carboxylate, 97%, Thermo Scientific™
CAS: 361345-40-6 Molecular Formula: C16H25N3O2 Molecular Weight (g/mol): 291.395 InChI Key: VKSINZNBWVJILC-UHFFFAOYSA-N Synonym: tert-butyl 4-3-aminobenzyl piperazine-1-carboxylate,1-boc-4-3-aminobenzyl piperazine,3-4-boc-piperazin-1-yl-methyl aniline,tert-butyl 4-3-aminophenyl methyl piperazine-1-carboxylate,3-1-boc-piperazin-4-yl-methyl-aniline,tert-butyl 4-3-aminophenyl methyl piperazinecarboxylate,4-3-amino-benzyl-piperazine-1-carboxylic acid tert-butyl ester,pubchem12209,acmc-1ah36,4-3-aminobenzyl piperazine, n1-boc protected PubChem CID: 7127799 IUPAC Name: tert-butyl 4-[(3-aminophenyl)methyl]piperazine-1-carboxylate SMILES: CC(C)(C)OC(=O)N1CCN(CC1)CC2=CC(=CC=C2)N