Organoheterocyclic compounds
Methyl 4-imidazolecarboxylate, 98%
CAS: 17325-26-7 Molecular Formula: C5H6N2O2 Molecular Weight (g/mol): 126.12 MDL Number: MFCD00216584 InChI Key: DVLGIQNHKLWSRU-UHFFFAOYSA-N Synonym: methyl 4-imidazolecarboxylate,methyl 1h-imidazole-4-carboxylate,methyl imidazole-4-carboxylate,1h-imidazole-4-carboxylic acid, methyl ester,1h-imidazole-5-carboxylic acid methyl ester,methyl-4-imidazolecarboxylate,1h-imidazole-4-carboxylic acid methyl ester,methyl 3h-imidazole-4-carboxylate,imidazole-4-carboxylic acid, methyl ester,zlchem 863 PubChem CID: 565661 IUPAC Name: methyl 1H-imidazole-5-carboxylate SMILES: COC(=O)C1=CN=CN1
Tetrahydropyran-4-sulfonyl chloride, 97%
CAS: 338453-21-7 Molecular Formula: C5H9ClO3S Molecular Weight (g/mol): 184.64 InChI Key: QQSBPTQNEOJFBO-UHFFFAOYSA-N Synonym: tetrahydro-2h-pyran-4-sulfonyl chloride,tetrahydropyran-4-sulfonyl chloride,tetrahydro-pyran-4-sulfonyl chloride,2h-pyran-4-sulfonylchloride, tetrahydro,tetrahydropyran-4-sulfonylchloride,tetrahydropyran-4-sulphonyl chloride,2h-pyran-4-sulfonylchloride,tetrahydro,n-5-bromo-2-methoxybenzyl cyclohexanamine hydrobromide PubChem CID: 22637030 IUPAC Name: oxane-4-sulfonyl chloride SMILES: C1COCCC1S(=O)(=O)Cl
Thermo Scientific Chemicals 9-Hydroxyrisperidone, 98%
CAS: 144598-75-4 Molecular Formula: C23H27FN4O3 Molecular Weight (g/mol): 426.48 InChI Key: PMXMIIMHBWHSKN-UHFFFAOYSA-N Synonym: paliperidone,9-hydroxyrisperidone,invega,9-oh-risperidone,invega sustenna,xeplion,palliperidone,3-2-4-6-fluoro-1,2-benzisoxazol-3-yl-1-piperidinyl ethyl-6,7,8,9-tetrahydro-9-hydroxy-2-methyl-4h-pyrido 1,2-a pyrimidin-4-one,chembl1621,3-2-4-6-fluorobenzo d isoxazol-3-yl piperidin-1-yl ethyl-9-hydroxy-2-methyl-6,7,8,9-tetrahydro-4h-pyrido 1,2-a pyrimidin-4-one PubChem CID: 115237 ChEBI: CHEBI:83804 IUPAC Name: 3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one SMILES: CC1=C(C(=O)N2CCCC(C2=N1)O)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)F
Castanospermine, 99%
CAS: 79831-76-8 Molecular Formula: C8H15NO4 Molecular Weight (g/mol): 189.211 MDL Number: MFCD00017555 InChI Key: JDVVGAQPNNXQDW-TVNFTVLESA-N Synonym: castanospermine,castinospermine,1,6,7,8-tetrahydroxyoctahydroindolizine,1s,6s,7r,8r,8ar-1,6,7,8-tetrahydroxyindolizidine,6-epicastanospermine,unii-q0i3184xm7,6,7-diepicastanospermine,castanospermine, castanospermum australe,1s,6s,7r,8ar-tetrahydroxyoctahydroindolizine,1s,6s,7r,8r,8ar-octahydroindolizine-1,6,7,8-tetrol PubChem CID: 54445 ChEBI: CHEBI:27860 IUPAC Name: (1S,6S,7R,8R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,7,8-tetrol SMILES: C1CN2CC(C(C(C2C1O)O)O)O
6-Hydroxy-1,2,3,4-tetrahydroisoquinoline, 97%
CAS: 14446-24-3 Molecular Formula: C9H11NO Molecular Weight (g/mol): 149.193 MDL Number: MFCD01717047 InChI Key: SCMZIFSYPJICCV-UHFFFAOYSA-N Synonym: 6-hydroxy-1,2,3,4-tetrahydroisoquinoline,1,2,3,4-tetrahydro-isoquinolin-6-ol,1,2,3,4-tetrahydro-6-isoquinolinol,6-isoquinolinol, 1,2,3,4-tetrahydro,pubchem13941,6-hydroxytetrahydroisochinolin,ksc376k4j,6-hydroxy-1,2,3,4-tetrahydro-isoquinoline PubChem CID: 26698 IUPAC Name: 1,2,3,4-tetrahydroisoquinolin-6-ol SMILES: C1CNCC2=C1C=C(C=C2)O
Thermo Scientific Chemicals Thymidine-5'-monophosphate disodium salt
CAS: 33430-62-5 Molecular Formula: C10H13N2Na2O8P Molecular Weight (g/mol): 366.17 MDL Number: MFCD00023797 InChI Key: AGSQMPPRYZYDFV-ZJWYQBPBSA-L Synonym: tmp disodium PubChem CID: 131674985 IUPAC Name: disodium;[(2R,3S,5R)-3-hydroxy-5-(5-methyl-4-oxido-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate;hydrate SMILES: [Na+].[Na+].CC1=CN([C@H]2C[C@H](O)[C@@H](COP([O-])([O-])=O)O2)C(=O)NC1=O
Benzyl 2,3-O-isopropylidene-alpha-D-mannofuranoside, Thermo Scientific™
CAS: 20689-03-6 Molecular Formula: C16H22O6 Molecular Weight (g/mol): 310.346 MDL Number: MFCD02683277 InChI Key: NKCNUNUEQRYLNZ-MLQJFRMTSA-N Synonym: benzyl 2,3-o-isopropylidene-alpha-d-mannofuranoside,benzyl 2,3-o-isopropylidene-,a-d-mannofuranoside,phenylmethyl 2,3-o-1-methylethylidene-,benzyl 3xi-2,3-o-1-methylethylidene-alpha-d-erythro-hexofuranoside,1r-1-4r,6s,6ar-6-benzyloxy-2,2-dimethyl-tetrahydrofuro 3,4-d 1,3 dioxol-4-yl ethane-1,2-diol PubChem CID: 57370143 IUPAC Name: (1R)-1-[(3aR,4S,6R)-2,2-dimethyl-4-phenylmethoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]ethane-1,2-diol SMILES: CC1(OC2C(O1)C(OC2C(CO)O)OCC3=CC=CC=C3)C
Methyl 3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate, 97%
CAS: 188614-01-9 Molecular Formula: C10H9NO3S Molecular Weight (g/mol): 223.25 MDL Number: MFCD00449104 InChI Key: UFSVRHNRNVVBJR-UHFFFAOYSA-N PubChem CID: 699501 IUPAC Name: methyl 3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate SMILES: COC(=O)C1=CC2=C(SCC(=O)N2)C=C1
6-Azaindole, 97+%
CAS: 271-29-4 Molecular Formula: C7H6N2 Molecular Weight (g/mol): 118.14 MDL Number: MFCD01686899 InChI Key: XLKDJOPOOHHZAN-UHFFFAOYSA-N Synonym: 6-azaindole,1h-pyrrolo 2,3-c pyridine,harmyrine,1,6-diazaindene,6h-pyrrolo 2,3-c pyridine,6-azaindol,pyrrolo 2,3-c pyridine,6-aza-6h-indole,zlchem 439 PubChem CID: 9219 IUPAC Name: 1H-pyrrolo[2,3-c]pyridine SMILES: N1C=CC2=CC=NC=C12
3-Tropanylindole-3-carboxylate hydrochloride, Thermo Scientific Chemicals
CAS: 105826-92-4 Molecular Formula: C17H21ClN2O2 Molecular Weight (g/mol): 320.817 MDL Number: MFCD00210221 InChI Key: XIEGSJAEZIGKSA-ICHLHHFLSA-N Synonym: sdz-ics 930 PubChem CID: 71300439 IUPAC Name: [(5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 1H-indole-3-carboxylate;hydrochloride SMILES: CN1C2CCC1CC(C2)OC(=O)C3=CNC4=CC=CC=C43.Cl
2-(2,5-Dimethyl-1H-pyrrol-1-yl)benzoic acid, 97%, Thermo Scientific™
CAS: 92028-57-4 Molecular Formula: C13H13NO2 Molecular Weight (g/mol): 215.25 MDL Number: MFCD01125264 InChI Key: ZLYUUANOICYAAL-UHFFFAOYSA-N Synonym: 2-2,5-dimethyl-1h-pyrrol-1-yl benzoic acid,2-2,5-dimethylpyrrol-1-yl benzoic acid,2-2,5-dimethyl-1-pyrrolyl benzoic acid,2-2,5-dimethyl-pyrrol-1-yl-benzoic acid,2-2,5-dimethylpyrrolyl benzoic acid,cbmicro_048042,benzoic acid,2-2,5-dimethyl-1h-pyrrol-1-yl PubChem CID: 292956 IUPAC Name: 2-(2,5-dimethylpyrrol-1-yl)benzoic acid SMILES: CC1=CC=C(C)N1C1=CC=CC=C1C(O)=O
1-Boc-piperidine-4-carboxaldehyde, 97%
CAS: 137076-22-3 Molecular Formula: C11H19NO3 Molecular Weight (g/mol): 213.28 MDL Number: MFCD02179019 InChI Key: JYUQEWCJWDGCRX-UHFFFAOYSA-N Synonym: 1-boc-4-piperidinecarboxaldehyde,1-boc-4-formylpiperidine,1-tert-butoxycarbonyl-4-piperidinecarboxaldehyde,1-boc-piperidine-4-carboxaldehyde,n-boc-4-formylpiperidine,n-boc-4-piperidinecarboxaldehyde,1-tert-butoxycarbonyl-4-formylpiperidine,4-formyl-piperidine-1-carboxylic acid tert-butyl ester,n-boc-piperidine-4-carbaldehyde,4-formylpiperidine-1-carboxylic acid tert-butyl ester PubChem CID: 1514430 IUPAC Name: tert-butyl 4-formylpiperidine-1-carboxylate SMILES: CC(C)(C)OC(=O)N1CCC(CC1)C=O
2-Methyl-2-(4-methylphenyl)morpholine, 97%
CAS: 902836-81-1 Molecular Formula: C12H17NO Molecular Weight (g/mol): 191.274 MDL Number: MFCD08060961 InChI Key: NQYMBSUCKZVKFF-UHFFFAOYSA-N Synonym: 2-methyl-2-p-tolyl morpholine,2-methyl-2-4-methylphenyl morpholine,2-methyl-2-p-tolylmorpholine,2-methyl-2-p-tolyl-morpholine,2-4-methylphenyl-2-methylmorpholine,morpholine, 2-methyl-2-4-methylphenyl PubChem CID: 24208807 IUPAC Name: 2-methyl-2-(4-methylphenyl)morpholine SMILES: CC1=CC=C(C=C1)C2(CNCCO2)C
2-(2-Fluorophenyl)pyrrolidine, 95%
CAS: 72216-04-7 Molecular Formula: C10H12FN Molecular Weight (g/mol): 165.211 MDL Number: MFCD02663474 InChI Key: NOJCVVKIBLHAGW-UHFFFAOYSA-N Synonym: 2-2-fluorophenyl pyrrolidine,2-2-fluorophenyl-pyrrolidine,pyrrolidine,2-2-fluorophenyl,rs-2-2-fluoro-phenyl-pyrrolidine PubChem CID: 3613306 IUPAC Name: 2-(2-fluorophenyl)pyrrolidine SMILES: C1CC(NC1)C2=CC=CC=C2F
4-(4-Fluorobenzyl)piperidine hydrochloride, 97%
CAS: 193357-52-7 Molecular Formula: C12H17ClFN Molecular Weight (g/mol): 229.72 MDL Number: MFCD03840140 InChI Key: OJKWWANXBGLGQN-UHFFFAOYSA-N Synonym: 4-4-fluorobenzyl piperidine hydrochloride,4-4-fluorobenzyl piperidine hcl,4-4-fluoro-benzyl-piperidine hydrochloride,4-4'-fluorobenzyl piperidine hydrochloride,piperidine, 4-4-fluorophenyl methyl-, hydrochloride,4-4-fluorophenyl methyl piperidine hydrochloride,4-4-fluorobenzyl piperidine hydrochloride salt,4-4-fluorobenzyl piperidine hydrobromide,4-4-fluorobenzyl piperidinehydrochloride,4-4-fluorobenzyl-piperidine hydrochloride PubChem CID: 17039492 SMILES: Cl.FC1=CC=C(CC2CCNCC2)C=C1