Organoheterocyclic compounds
3,5-Dimethylisoxazol-4-yl isocyanate, 95%, Thermo Scientific™
CAS: 131825-41-7 Molecular Formula: C6H6N2O2 Molecular Weight (g/mol): 138.126 MDL Number: MFCD00119910 InChI Key: JJQYAGYVYNMYGE-UHFFFAOYSA-N Synonym: 3,5-dimethylisoxazol-4-yl isocyanate,isoxazole,4-isocyanato-3,5-dimethyl,3,5-dimethylisoxazole-4-isocyanate,4-isocyanato-3,5-dimethylisoxazole,3,5-dimethyl isoxazol-4-yl isocyanate,3,5-dimethylisoxazol-4-ylisocyanate,acmc-20mu97,3,5-dimethylisoxazol-4-isocyanate,3,5-dimethyl-4-isocyanatoisoxazole,4-isocyanato3,5-dimethyl-isoxazole PubChem CID: 2736266 IUPAC Name: 4-isocyanato-3,5-dimethyl-1,2-oxazole SMILES: CC1=C(C(=NO1)C)N=C=O
Thermo Scientific Chemicals Yohimbine hydrochloride, 99%
CAS: 65-19-0 Molecular Formula: C21H27ClN2O3 Molecular Weight (g/mol): 390.91 MDL Number: MFCD00012674 InChI Key: PIPZGJSEDRMUAW-VJDCAHTMSA-N Synonym: yohimbine hydrochloride,antagonil,yohimbe,yohimbine hcl,aphrodine hydrochloride,yohimbine monohydrochloride,unii-nb2e1yp49f,yohimbin hydrochloride usp,nb2e1yp49f PubChem CID: 6169 IUPAC Name: methyl (1S,15R,18S,19R,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate;hydrochloride SMILES: [H+].[Cl-].COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCC4=C(NC5=CC=CC=C45)[C@@H]3C[C@H]12
4-Bromopyridine-3-carboxylic acid, 96%
CAS: 15366-62-8 Molecular Formula: C6H4BrNO2 Molecular Weight (g/mol): 202.01 MDL Number: MFCD04114236 InChI Key: CZLOEKRJQIAKFI-UHFFFAOYSA-N Synonym: 4-bromonicotinic acid,4-bromo-nicotinic acid,3-acid-4-bromopyridine,3-pyridinecarboxylic acid, 4-bromo,4-bromo-nicotinicacid,4-bromo-3-pyridinecarboxylic acid,4-bromonicotinicacid,pubchem18140,acmc-209d9s PubChem CID: 2762915 IUPAC Name: 4-bromopyridine-3-carboxylic acid SMILES: OC(=O)C1=C(Br)C=CN=C1
(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
Methyle1-methyl-1H-imidazole-5-carboxylate, 97%, Thermo Scientific™
CAS: 17289-20-2 Molecular Formula: C6H8N2O2 Molecular Weight (g/mol): 140.14 MDL Number: MFCD01567300 InChI Key: AKDPLDCXQNEMCL-UHFFFAOYSA-N Synonym: methyl 1-methyl-1h-imidazole-5-carboxylate,methyl 1-methylimidazole-5-carboxylate,methyl1-methyl-1h-imidazole-5-carboxylate,3-methyl-3h-imidazole-4-carboxylic acid methyl ester,1h-imidazole-5-carboxylic acid, 1-methyl-, methyl ester,1-methyl-1h-imidazole-5-carboxylic acid methyl ester,pubchem9004,acmc-209e5h,1-methylimidazole-5-carboxylic acid methyl ester,1h-imidazole-5-carboxylicacid, 1-methyl-, methyl ester PubChem CID: 2736896 IUPAC Name: methyl 3-methylimidazole-4-carboxylate SMILES: COC(=O)C1=CN=CN1C
4-Chloro-N-methylpyridine-2-carboxamide, 97%
CAS: 220000-87-3 Molecular Formula: C7H7ClN2O Molecular Weight (g/mol): 170.60 MDL Number: MFCD02185921 InChI Key: BGVBBMZMEKXUTR-UHFFFAOYSA-N Synonym: 4-chloro-n-methylpicolinamide,n-methyl-4-chloropyridine-2-carboxamide,4-chloro-n-methyl-2-pyridinecarboxamide,n-methyl 4-chloropicolinamide,2-pyridinecarboxamide, 4-chloro-n-methyl,4-chloropyridine-2-carboxylic acid methylamide,4-chloro-n-methyl-pyridine-2-carboxamide,n-methyl-4-chloro-2-pyridinamide,4-chloro 2-pyridyl-n-methylcarboxamide,4-chloranyl-∼ n-methyl-pyridine-2-carboxamide PubChem CID: 1476814 IUPAC Name: 4-chloro-N-methylpyridine-2-carboxamide SMILES: CNC(=O)C1=NC=CC(Cl)=C1
4-Amino-2-bromopyridine, 97%
CAS: 7598-35-8 Molecular Formula: C5H5BrN2 Molecular Weight (g/mol): 173.01 MDL Number: MFCD01646061 InChI Key: GNTGEMWEXKBWBX-UHFFFAOYSA-N Synonym: 4-amino-2-bromopyridine,2-bromo-4-aminopyridine,2-bromo-4-pyridylamine,2-bromo-4-pyridinamine,4-pyridinamine, 2-bromo,2-bromo-pyridin-4-ylamine,pubchem1100,pubchem1222,2-brompyridin-4-amin,2-bromopyridine-4-amine PubChem CID: 346455 IUPAC Name: 2-bromopyridin-4-amine SMILES: NC1=CC=NC(Br)=C1
3-Chloro-2-hydroxypyridine, 97%
CAS: 13466-35-8 Molecular Formula: C5H4ClNO Molecular Weight (g/mol): 129.54 MDL Number: MFCD01646109 InChI Key: XTYNIPUFKBBALX-UHFFFAOYSA-N Synonym: 3-chloro-2-hydroxypyridine,3-chloropyridin-2-ol,3-chloro-2-pyridinol,2-hydroxy-3-chloropyridine,3-chloropyridin-2 1h-one,3-chloro-2 1h-pyridinone,chloropyridone,2 1h-pyridinone, 3-chloro,chloropyridinol,pubchem6538 PubChem CID: 582210 IUPAC Name: 3-chloro-1H-pyridin-2-one SMILES: ClC1=CC=CNC1=O
4-Phenyltetrahydropyran-4-carboxylic acid, 97%, Thermo Scientific™
CAS: 182491-21-0 Molecular Formula: C12H14O3 Molecular Weight (g/mol): 206.24 MDL Number: MFCD00085758 InChI Key: BWHJLSRDMNLSET-UHFFFAOYSA-N Synonym: 4-phenyltetrahydro-2h-pyran-4-carboxylic acid,4-phenyl-tetrahydro-pyran-4-carboxylic acid,4-phenyltetrahydropyran-4-carboxylic acid,4-phenyl-oxane-4-carboxylic acid,2h-pyran-4-carboxylicacid, tetrahydro-4-phenyl,4-carboxy-4-phenyloxane,4-carboxy-4-phenyltetrahydro-2h-pyran,4-carboxytetrahydro-2h-pyran-4-yl benzene,4-phenyltetrahydro-2h-pyran-4-carboxylicacid,4-phenyl-tetrahydro-2h-pyran-4-carboxylic acid PubChem CID: 4138553 IUPAC Name: 4-phenyloxane-4-carboxylic acid SMILES: OC(=O)C1(CCOCC1)C1=CC=CC=C1
2',3'-O-Isopropylideneadenosine, 98%
CAS: 362-75-4 Molecular Formula: C13H17N5O4 Molecular Weight (g/mol): 307.31 MDL Number: MFCD00005756 InChI Key: LCCLUOXEZAHUNS-AUWRGFAENA-N Synonym: 2',3'-o-isopropylideneadenosine,3ar,4r,6r,6ar-6-6-amino-9h-purin-9-yl-2,2-dimethyltetrahydrofuro 3,4-d 1,3 dioxol-4-yl methanol,2',3'-isopropylideneadenosine,3ar,4r,6r,6ar-6-6-amino-9h-purin-9-yl-2,2-dimethyl-tetrahydro-2h-furo 3,4-d 1,3 dioxol-4-yl methanol,2 ,3-o-isopropylideneadenosine,1r,2r,4r,5r-4-6-aminopurin-9-yl-7,7-dimethyl-3,6,8-trioxabicyclo 3.3.0 oc t-2-yl methan-1-ol,3ar,4r,6r,6ar-4-6-aminopurin-9-yl-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro 3,4-d 1,3 dioxol-6-yl methanol,3ar,4r,6r,6ar-6-6-aminopurin-9-yl-2,2-dimethyl-tetrahydrofuro 3,4-d 1,3 dioxol-4-yl methanol,pubchem14185 PubChem CID: 2723654 SMILES: CC1(C)O[C@@H]2[C@@H](CO)O[C@H]([C@@H]2O1)N1C=NC2=C(N)N=CN=C12
1-Boc-4-(3-hydroxypropyl)piperazine, 97%
CAS: 132710-90-8 Molecular Formula: C12H24N2O3 Molecular Weight (g/mol): 244.335 MDL Number: MFCD06798090 InChI Key: LRYRQGKGCIUVON-UHFFFAOYSA-N Synonym: 1-boc-4-3-hydroxypropyl piperazine,tert-butyl 4-3-hydroxypropyl piperazine-1-carboxylate,4-2-hydroxypropyl-1-piperazinecarboxylic acid, 1,1-dimethylethyl ester,1-tert-butoxycarbonyl-4-3-hydroxypropyl piperazine,1-piperazinecarboxylicacid, 4-3-hydroxypropyl-, 1,1-dimethylethyl ester,acmc-20dtb2,t-butyl 4-3-hydroxypropyl piperazine-1-carboxylate,1-3-hydroxypropyl-4-tert-butyloxycarbonylpiperazine PubChem CID: 16217800 IUPAC Name: tert-butyl 4-(3-hydroxypropyl)piperazine-1-carboxylate SMILES: CC(C)(C)OC(=O)N1CCN(CC1)CCCO
2-Methyl-6-(trifluoromethyl)nicotinic acid, 97%
CAS: 261635-93-2 Molecular Formula: C8H6F3NO2 Molecular Weight (g/mol): 205.14 MDL Number: MFCD01311990 InChI Key: ODWJFUQRQUCRJZ-UHFFFAOYSA-N Synonym: 2-methyl-6-trifluoromethyl nicotinic acid,2-methyl-6-trifluoromethyl pyridine-3-carboxylic acid,6-trifluoromethyl-2-methylpyridine-3-carboxylic acid,2-methyl-6-trifluoromethyl-nicotinic acid,maybridge4_000139,2-methyl-6-trifluoromethynicotinic acid,2-methyl-6-trifluoromethyinicotinic acid,2-methyl-6-trifluoromethylnicotinic acid,2-methyl-6-trifluoromethyl-3-pyridinecarboxylic acid PubChem CID: 2775683 IUPAC Name: 2-methyl-6-(trifluoromethyl)pyridine-3-carboxylic acid SMILES: CC1=C(C=CC(=N1)C(F)(F)F)C(O)=O
4'-(4-Methoxyphenyl)-2,2':6',2″-terpyridine, 98%
CAS: 13104-56-8 Molecular Formula: C22H17N3O Molecular Weight (g/mol): 339.398 MDL Number: MFCD06796987 InChI Key: QAEWAYWLMREGRA-UHFFFAOYSA-N Synonym: 4'-4-methoxyphenyl-2,2':6',2-terpyridine,4-4-methoxyphenyl-2,6-dipyridin-2-ylpyridine,4-4-methoxyphenyl-2,6-bis pyridin-2-yl pyridine,4-p-methoxyphenyl-2,6-di 2-pyridyl pyridine,qaewaywlmregra-uhfffaoysa,4'-4-methoxyphenyl-2,2',6',2-terpyridine,4'-4-methoxyphenyl-2,2':6',2'-terpyridine,4-4-methoxyphenyl-2,2:6,2-terpyridine,4-4-methoxyphenyl-2,6-di pyridin-2-yl pyridine,1-2,6-di 2-pyridyl 4-pyridyl-4-methoxybenzene PubChem CID: 630929 IUPAC Name: 4-(4-methoxyphenyl)-2,6-dipyridin-2-ylpyridine SMILES: COC1=CC=C(C=C1)C2=CC(=NC(=C2)C3=CC=CC=N3)C4=CC=CC=N4
4,5-Dibromo-3(2H)-pyridazinone, 98%
CAS: 5788-58-9 Molecular Formula: C4H2Br2N2O Molecular Weight (g/mol): 253.881 MDL Number: MFCD00023641 InChI Key: AGLQURQNVJVJNB-UHFFFAOYSA-N Synonym: 4,5-dibromopyridazin-3 2h-one,4,5-dibromo-3 2h-pyridazinone,4,5-dibromopyridazin-3-one,4,5-dibromopyridazine-3 2h-one,4,5-dibromopyridazin-3-ol,4,5-dibromo-2,3-dihydropyridazin-3-one,3 2h-pyridazinone, 4,5-dibromo,4,5-dibromo-2h-pyridazin-3-one,4,5-dibromo-2-hydropyridazin-3-one PubChem CID: 236181 IUPAC Name: 4,5-dibromo-1H-pyridazin-6-one SMILES: C1=NNC(=O)C(=C1Br)Br
3-Methoxyazetidine hydrochloride, 95%
CAS: 148644-09-1 Molecular Formula: C4H10ClNO Molecular Weight (g/mol): 123.58 MDL Number: MFCD06804514 InChI Key: KSXGQRBTBLQJEF-UHFFFAOYSA-N Synonym: 3-methoxyazetidine hydrochloride,3-methoxy-azetidine hydrochloride,3-azetidinyl methyl ether hydrochloride,3-methoxyazetidine hcl,azetidine, 3-methoxy-, hydrochloride,azetidine, 3-methoxy-,hydrochloride 1:1,acmc-20a0d9,ksc495e1t,3-methoxyazetidinehydrochloride,3-methoxy-azetidine-hydrochloride PubChem CID: 22242858 IUPAC Name: 3-methoxyazetidine;hydrochloride SMILES: COC1CNC1.Cl