Organoheterocyclic compounds
N-BOC-3-pyrrolidinone, 97%
CAS: 101385-93-7 Molecular Formula: C9H15NO3 Molecular Weight (g/mol): 185.22 MDL Number: MFCD01631194 InChI Key: JSOMVCDXPUXKIC-UHFFFAOYSA-N Synonym: n-boc-3-pyrrolidinone,1-boc-3-pyrrolidinone,1-n-boc-3-pyrrolidinone,n-tert-butoxycarbonyl-3-pyrrolidinone,n-boc-pyrrolidine-3-one,boc-3-pyrrolidinone,1-boc-3-pyrrolidone,3-oxo-pyrrolidine-1-carboxylic acid tert-butyl ester,tert-butyl 3-oxopyrrolidinecarboxylate,1-tert-butoxycarbonyl-3-pyrrolidone PubChem CID: 471360 IUPAC Name: tert-butyl 3-oxopyrrolidine-1-carboxylate SMILES: CC(C)(C)OC(=O)N1CCC(=O)C1
Hexamethyleneimine, 99%
CAS: 111-49-9 Molecular Formula: C6H13N Molecular Weight (g/mol): 99.17 MDL Number: MFCD00006934 InChI Key: ZSIQJIWKELUFRJ-UHFFFAOYSA-N Synonym: hexamethyleneimine,homopiperidine,hexahydroazepine,hexahydro-1h-azepine,perhydroazepine,1h-azepine, hexahydro,hexamethylenimine,azacycloheptane,azepan,hexamethylene imine PubChem CID: 8119 ChEBI: CHEBI:32616 IUPAC Name: azepane SMILES: C1CCCNCC1
4-Amino-2,6-dichloropyridine, 98+%, Thermo Scientific Chemicals
CAS: 2587-02-2 Molecular Formula: C5H5Cl2N2 Molecular Weight (g/mol): 164.01 MDL Number: MFCD00052832 InChI Key: WAEZOSSWRXDWAX-UHFFFAOYSA-O Synonym: 4-amino-2,6-dichloropyridine,2,6-dichloro-4-aminopyridine,2,6-dichloro-pyridin-4-ylamine,4-pyridinamine, 2,6-dichloro,2,6-dichloro-4-pyridylamine,2,6-dichloropyridin-4-ylamine,2,6-dichloro-4-amino pyridine,2,6-dichloro-4-pyridinamine,pubchem5530,acmc-1cot2 PubChem CID: 137652 IUPAC Name: 2,6-dichloropyridin-4-amine SMILES: C1=C(C=C(N=C1Cl)Cl)N
4,5-Dichloro-2-methyl-3(2H)-pyridazinone, 97%, Thermo Scientific Chemicals
CAS: 933-76-6 Molecular Formula: C5H4Cl2N2O Molecular Weight (g/mol): 179.00 MDL Number: MFCD00051686 InChI Key: ACKBTCUMGAHRIE-UHFFFAOYSA-N Synonym: 4,5-dichloro-2-methylpyridazin-3 2h-one,4,5-dichloro-2-methyl-3 2h-pyridazinone,3 2h-pyridazinone, 4,5-dichloro-2-methyl,4,5-dichloro-2-methyl-2h-pyridazin-3-one,4,5-dichloro-2-methyl-2,3-dihydropyridazin-3-one,3 2h-pyridazinone,4,5-dichloro-2-methyl,4,5-dichloro-2-methyl-2-hydropyridazin-3-one,pubchem16243,acmc-209wiz,5-24-02-00023 beilstein handbook reference PubChem CID: 120462 IUPAC Name: 4,5-dichloro-2-methylpyridazin-3-one SMILES: CN1N=CC(Cl)=C(Cl)C1=O
3-Thiopheneboronic acid, 97%
CAS: 6165-69-1 Molecular Formula: C4H5BO2S Molecular Weight (g/mol): 127.95 MDL Number: MFCD00151851 InChI Key: QNMBSXGYAQZCTN-UHFFFAOYSA-N Synonym: 3-thiopheneboronic acid,thiophene-3-boronic acid,3-thienylboronic acid,thiophene 3-boronic acid,thiophene-3-boronicacid,thiophen-3-yl-3-boronic acid,3-thienyl boronic acid,3-thiophene boronic acid,thiophen-3-yl-boranediol,boronic acid, 3-thienyl PubChem CID: 581760 IUPAC Name: thiophen-3-ylboronic acid SMILES: OB(O)C1=CSC=C1
tert-Butyl 4-amino-1-piperidinecarboxylate, 98%
CAS: 87120-72-7 Molecular Formula: C10H21N2O2 Molecular Weight (g/mol): 201.29 MDL Number: MFCD01076201 InChI Key: LZRDHSFPLUWYAX-UHFFFAOYSA-O Synonym: 4-amino-1-boc-piperidine,1-boc-4-aminopiperidine,n-boc-4-aminopiperidine,n-boc-4-amino-piperidine,4-amino-1-n-boc-piperidine,4-amino-n-boc piperidine,1-boc-4-amino piperidine,1-n-boc-4-aminopiperidine,1-t-butoxycarbonyl-4-aminopiperidine,n-1-boc-4-aminopiperidine PubChem CID: 1268291 IUPAC Name: tert-butyl 4-aminopiperidine-1-carboxylate SMILES: CC(C)(C)OC(=O)N1CCC([NH3+])CC1
2-Bromo-3-thiophenecarboxylic acid, 96%
CAS: 24287-95-4 Molecular Formula: C5H3BrO2S Molecular Weight (g/mol): 207.04 MDL Number: MFCD05865213 InChI Key: RVSXMPCELBYUSF-UHFFFAOYSA-N Synonym: 2-bromo-3-thiophenecarboxylic acid,2-bromo-thiophene-3-carboxylic acid,2-bromo-thiophene-3-carboxylicacid,3-thiophenecarboxylic acid, 2-bromo,2-bromo-3-thenoic acid,acmc-209xc0,2-bromo-3-carboxythiophene,2-bromothiophene-3-carboxylic?acid,2-bromo-3-thiophene carboxylic acid,2-bromo-thiophene 3-carboxylic acid PubChem CID: 12320971 IUPAC Name: 2-bromothiophene-3-carboxylic acid SMILES: C1=CSC(=C1C(=O)O)Br
3-Amino-5-methyl-1H-pyrazole, 97%
CAS: 31230-17-8 Molecular Formula: C4H7N3 Molecular Weight (g/mol): 97.121 MDL Number: MFCD00075180 InChI Key: FYTLHYRDGXRYEY-UHFFFAOYSA-N Synonym: 3-amino-5-methylpyrazole,3-methyl-1h-pyrazol-5-amine,1h-pyrazol-3-amine, 5-methyl,5-amino-3-methylpyrazole,3-amino-5-methyl-1h-pyrazole,5-amino-3-methyl-1h-pyrazole,5-methyl-2h-pyrazol-3-ylamine,5-methyl-2h-pyrazol-3-amine,5-methyl-1h-pyrazol-3-ylamine,5-methylpyrazol-3-amine PubChem CID: 93146 IUPAC Name: 5-methyl-1H-pyrazol-3-amine SMILES: CC1=CC(=NN1)N
5-Methoxyindole-3-acetic acid, 98+%
CAS: 3471-31-6 Molecular Formula: C11H11NO3 Molecular Weight (g/mol): 205.213 MDL Number: MFCD00005638 InChI Key: COCNDHOPIHDTHK-UHFFFAOYSA-N Synonym: 5-methoxyindole-3-acetic acid,2-5-methoxy-1h-indol-3-yl acetic acid,5-methoxyindoleacetic acid,methoxyindoleacetic acid,5-methoxy-3-indoleacetic acid,5-methoxyindol-3-ylacetic acid,5-methoxy-1h-indol-3-yl acetic acid,5-methoxyindole-3-aceticacid,5-methoxyindoleacetate,1h-indole-3-acetic acid, 5-methoxy PubChem CID: 18986 ChEBI: CHEBI:28281 IUPAC Name: 2-(5-methoxy-1H-indol-3-yl)acetic acid SMILES: COC1=CC2=C(C=C1)NC=C2CC(=O)O
2,3,6-Trifluoro-4-(trifluoromethyl)pyridine, 97%, Thermo Scientific Chemicals
CAS: 84940-46-5 Molecular Formula: C6HF6N Molecular Weight (g/mol): 201.071 MDL Number: MFCD03840203 InChI Key: DODFHNWFNCGXOW-UHFFFAOYSA-N Synonym: 2,3,6-trifluoro-4-trifluoromethyl pyridine,pyridine,2,3,6-trifluoro-4-trifluoromethyl,2,3,6-tris fluoranyl-4-trifluoromethyl pyridine PubChem CID: 2782842 IUPAC Name: 2,3,6-trifluoro-4-(trifluoromethyl)pyridine SMILES: C1=C(C(=C(N=C1F)F)F)C(F)(F)F
4-(2-Methoxyphenyl)piperidine, 97%, Thermo Scientific™
CAS: 58333-75-8 Molecular Formula: C12H17NO Molecular Weight (g/mol): 191.274 MDL Number: MFCD00277219 InChI Key: SRAVSVBVHDLLPO-UHFFFAOYSA-N PubChem CID: 544738 IUPAC Name: 4-(2-methoxyphenyl)piperidine SMILES: COC1=CC=CC=C1C2CCNCC2
2-(3-Butynyloxy)tetrahydro-2H-pyran, 97%
CAS: 40365-61-5 Molecular Formula: C9H14O2 Molecular Weight (g/mol): 154.21 MDL Number: MFCD00012352 InChI Key: ZQZSNKJFOFAJQX-UHFFFAOYSA-N Synonym: 2-but-3-yn-1-yloxy tetrahydro-2h-pyran,2-3-butynyloxy tetrahydro-2h-pyran,2h-pyran, 2-3-butynyloxy tetrahydro,2-3-butynyloxy tetrahydro-2 h-pyran,1-tetrahydropyran-2-yloxy-3-butyne,2-but-3-ynoxytetrahydropyran,tetrahydropyranyloxy-3-butyne,2-but-3-yn-1-yloxy oxane,2-3-butynyloxy tetrahydropyran,4-tetrahydropyranyl oxy butyne PubChem CID: 142440 IUPAC Name: 2-but-3-ynoxyoxane SMILES: C#CCCOC1CCCCO1
Tetrakis(1-pyrazolyl)borate, potassium salt, 95%
CAS: 14782-58-2 Molecular Formula: C12H12BKN8 Molecular Weight (g/mol): 318.2 MDL Number: MFCD00800557 InChI Key: RKBGLZQVHBLUBM-UHFFFAOYSA-N Synonym: tetrakis 1-pyrazolyl borate,potassium tetrakis pyrazol-1-yloxy boranuide PubChem CID: 92043288 IUPAC Name: potassium;tetra(pyrazol-1-yloxy)boranuide SMILES: [B-](ON1C=CC=N1)(ON2C=CC=N2)(ON3C=CC=N3)ON4C=CC=N4.[K+]
4-Dimethylaminoazobenzene-4'-sulfonyl chloride, 98+%
CAS: 56512-49-3 Molecular Formula: C14H14ClN3O2S Molecular Weight (g/mol): 323.80 MDL Number: MFCD00007444 InChI Key: VTVWTPGLLAELLI-UHFFFAOYSA-N Synonym: dabsyl chloride,4-dimethylaminoazobenzene-4'-sulfonyl chloride,4-dimethylamino azobenzene-4'-sulfonyl chloride,p-dimethylaminoazobenzene-4-sulfonyl chloride,p-p-dimethylamino phenyl azo benzenesulfonyl chloride,benzenesulfonyl chloride, 4-4-dimethylamino phenyl azo,benzenesulfonyl chloride, p-p-dimethylamino phenyl azo,4-n,n-dimethylaminoazobenzene-4'-sulfonyl chloride,p-4-dimethylamino phenyl azo benzenesulphonyl chloride PubChem CID: 91660 IUPAC Name: 4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfonyl chloride SMILES: CN(C)C1=CC=C(C=C1)N=NC1=CC=C(C=C1)S(Cl)(=O)=O
Antide acetate, Thermo Scientific Chemicals
CAS: 112568-12-4 Molecular Formula: C82H108ClN17O14 Molecular Weight (g/mol): 1591.32 MDL Number: MFCD00133104,MFCD00133104 InChI Key: QRYFGTULTGLGHU-NBERXCRTSA-N Synonym: antide,iturelix,antide acetate,nal-lys-gnrh,unii-94055uoq3y,nal-lys-gnrhant,d-alaninamide, n-acetyl-3-2-naphthalenyl-d-alanyl-4-chloro-d-phenylalanyl-3-3-pyridinyl-d-alanyl-l-seryl-n6-3-pyridinylcarbonyl-l-lysyl-n6-3-pyridinylcarbonyl-d-lysyl-l-leucyl-n6-1-methylethyl-l-lysyl-l-prolyl,n-acetyl-3-naphhalen-2-yl-d-alanyl-p-chloro-d-phenylalanyl-3-3-pyridyl-d-alanyl-l-seryl-n sup 6-nicotinyl-l-lysyl-n sup 6-nicotinyl-d-lysyl-l-leucyl-n sup 6-isopropyl-l-lysyl-l-prolyl-d-alaninamide,d-alaninamide, n-acetyl-3-2-naphthalenyl-d-alanyl-4-chloro-d-phenylalanyl-3-3-pyridinyl-d-alanyl-l-seryl-n sup 6-3-pyridinylcarbonyl-l-lysyl-n sup 6-3-pyridinylcarbonyl-d-lysyl-l-leucyl-n sup 6-1-methylethyl-l-lysyl-l-prolyl,iturelix usan:inn PubChem CID: 16130938 IUPAC Name: (2S)-N-[(1R)-1-{[(1S)-1-{[(2S)-1-[(2S)-2-{[(1R)-1-carbamoylethyl]carbamoyl}pyrrolidin-1-yl]-1-oxo-6-[(propan-2-yl)amino]hexan-2-yl]carbamoyl}-3-methylbutyl]carbamoyl}-5-[(pyridin-3-yl)formamido]pentyl]-2-[(2S)-2-[(2R)-2-[(2R)-3-(4-chlorophenyl)-2-[(2R)-2-acetamido-3-(naphthalen-2-yl)propanamido]propanamido]-3-(pyridin-3-yl)propanamido]-3-hydroxypropanamido]-6-[(pyridin-3-yl)formamido]hexanamide SMILES: CC(C)C[C@H](NC(=O)[C@@H](CCCCNC(=O)C1=CC=CN=C1)NC(=O)[C@H](CCCCNC(=O)C1=CC=CN=C1)NC(=O)[C@H](CO)NC(=O)[C@@H](CC1=CC=CN=C1)NC(=O)[C@@H](CC1=CC=C(Cl)C=C1)NC(=O)[C@@H](CC1=CC=C2C=CC=CC2=C1)NC(C)=O)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O