Organoheterocyclic compounds
4,6-O-Benzylidene-D-glucal, 97%, Thermo Scientific Chemicals
CAS: 14125-70-3 Molecular Formula: C13H14O4 Molecular Weight (g/mol): 234.25 MDL Number: MFCD00167506 InChI Key: XMDUTBYCCVWPLD-FVCCEPFGSA-N Synonym: 4,6-o-benzylidene-d-glucal,2s,4ar,8r,8as-2-phenyl-4,4a,8,8a-tetrahydropyrano 3,2-d 1,3 dioxin-8-ol PubChem CID: 7067543 IUPAC Name: (2S,4aR,8R,8aS)-2-phenyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-ol SMILES: O[C@@H]1C=CO[C@@H]2CO[C@H](O[C@@H]12)C1=CC=CC=C1
Thermo Scientific Chemicals 4,6-O-Ethylidene-D-glucopyranose, 90%
CAS: 13224-99-2 Molecular Formula: C8H14O6 Molecular Weight (g/mol): 206.19 MDL Number: MFCD00006820 InChI Key: VZPBLPQAMPVTFO-UHFFFAOYNA-N Synonym: 4,6-o-ethylidene-a-d-glucose PubChem CID: 21581900 IUPAC Name: (2R,4aR,6S,7R,8R,8aS)-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6,7,8-triol SMILES: CC1OCC2OC(O)C(O)C(O)C2O1
5-Bromo-2-methyl-4-nitro-1H-imidazole, 97%, Thermo Scientific™
CAS: 18874-52-7 Molecular Formula: C4H4BrN3O2 Molecular Weight (g/mol): 205.999 MDL Number: MFCD00156130 InChI Key: YOJYWZSEUWUYAQ-UHFFFAOYSA-N Synonym: 4-bromo-2-methyl-5-nitro-1h-imidazole,5-bromo-2-methyl-4-nitroimidazole,4-bromo-2-methyl-5-nitro-3h-imidazole,4-bromo-2-methyl-5-nitroimidazole,1h-imidazole, 4-bromo-2-methyl-5-nitro,2-methyl-4-nitro-5-bromoimidazole,imidazole, 5-bromo-4-nitro-2-methyl,2-methyl-4-bromo-5-nitro-1h-imidazole,1h-imidazole,5-bromo-2-methyl-4-nitro,1h-imidazole, 5-bromo-2-methyl-4-nitro PubChem CID: 29322 IUPAC Name: 5-bromo-2-methyl-4-nitro-1H-imidazole SMILES: CC1=NC(=C(N1)Br)[N+](=O)[O-]
2,3-Dihydro-1,4-benzodioxine-5-carbaldehyde, Thermo Scientific™
CAS: 29668-43-7 Molecular Formula: C9H8O3 Molecular Weight (g/mol): 164.16 MDL Number: MFCD00239451 InChI Key: BJXUCBAQZJITKD-UHFFFAOYSA-N Synonym: 2,3-dihydrobenzo b 1,4 dioxine-5-carbaldehyde,2,3-dihydro-benzo 1,4 dioxine-5-carbaldehyde,1,4-benzodioxin-5-carboxaldehyde, 2,3-dihydro,2,3-dihydro-1,4-benzodioxine-5-carbaldehyd,2,3-dihydro-1,4-benzodioxin-5-carboxaldehyde,2,3-ethylenedioxybenzaldehyde,2,3-dihydrobenzodioxin-5-carboxaldehyde,1,4-benzodioxane-5-carboxaldehyde,2h,3h-benzo e 1,4-dioxin-5-carbaldehyde,2,3-dihydro-1,4-benzdioxin-5-carbaldehyde PubChem CID: 2795033 IUPAC Name: 2,3-dihydro-1,4-benzodioxine-5-carbaldehyde SMILES: O=CC1=C2OCCOC2=CC=C1
2-(1,3-Benzodioxol-5-yl)ethanol, ≥97%, Thermo Scientific™
CAS: 6006-82-2 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00666033 InChI Key: JADSGOFBFPTCHG-UHFFFAOYSA-N Synonym: 2-benzo d 1,3 dioxol-5-yl ethanol,2-2h-1,3-benzodioxol-5-yl ethan-1-ol,3,4-methylenedioxy phenethyl alcohol,2-1,3-benzodioxol-5-yl ethanol,1,3-benzodioxole-5-ethanol,homopiperonyl alcohol,3,4-methylenedioxyphenethyl alcohol,2-1,3-benzodioxol-5-yl-ethanol,2-2h-1,3-benzodioxol-5-yl ethanol,benzodioxolylethanol PubChem CID: 2759846 IUPAC Name: 2-(1,3-benzodioxol-5-yl)ethanol SMILES: C1OC2=C(O1)C=C(C=C2)CCO
2,3-Dihydro-1,4-benzodioxine-6-carboxylic acid, 97%, Thermo Scientific™
CAS: 4442-54-0 Molecular Formula: C9H8O4 Molecular Weight (g/mol): 180.159 MDL Number: MFCD00463509 InChI Key: JWZQJTGQFHIRFQ-UHFFFAOYSA-N Synonym: 1,4-benzodioxane-6-carboxylic acid,2,3-dihydrobenzo b 1,4 dioxine-6-carboxylic acid,3,4-ethylenedioxy benzoic acid,2,3-dihydro-benzo 1,4 dioxine-6-carboxylic acid,1,4-benzodioxin-6-carboxylic acid, 2,3-dihydro,3,4-ethylenedioxybenzoic acid,1,4-benzodioxan-6-carboxylic acid,2,3-dihydro-1,4-benzodioxin-6-carboxylic acid,2,3-dihydro-1,4-benzodioxine-6-carboxylicacid,6-carboxy-2,3-dihydro-1,4-benzodioxine PubChem CID: 2758833 IUPAC Name: 2,3-dihydro-1,4-benzodioxine-6-carboxylic acid SMILES: C1COC2=C(O1)C=CC(=C2)C(=O)O
1,3-Benzodioxol-5-ylmethyl isothiocyanate, ≥95%, Thermo Scientific™
CAS: 4430-47-1 Molecular Formula: C9H7NO2S Molecular Weight (g/mol): 193.22 MDL Number: MFCD00041217 InChI Key: PUJWRDBPAFJUJW-UHFFFAOYSA-N Synonym: 3,4-methylenedioxy benzyl isothiocyanate,1,3-benzodioxol-5-ylmethyl isothiocyanate,5-isothiocyanatomethyl-1,3-benzodioxole,3,4-methylenedioxybenzyl isothiocyanate,5-isothiocyanatomethyl-2h-1,3-benzodioxole,5-isothiocyanatomethyl-benzo 1,3 dioxole,5-isothiocyanatomethyl benzo d 1,3 dioxole,acmc-20angn,pubchem9883,akos bbr-002798 PubChem CID: 2795371 IUPAC Name: 5-(isothiocyanatomethyl)-1,3-benzodioxole SMILES: S=C=NCC1=CC=C2OCOC2=C1
1-(3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)piperidine, 97%, Thermo Scientific™
CAS: 852227-97-5 Molecular Formula: C17H26BNO2 Molecular Weight (g/mol): 287.21 MDL Number: MFCD07368528 InChI Key: IIUXWPXCCXVCPD-UHFFFAOYSA-N Synonym: 1-3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl piperidine,3-piperidinophenylboronic acid, pinacol ester,1-3-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl piperidine,3-piperidin-1-yl benzeneboronic acid, pinacol ester,1-3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl,1-3-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl-phenyl-piperidine,piperidine,1-3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl PubChem CID: 4961251 IUPAC Name: 1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidine SMILES: CC1(C)OB(OC1(C)C)C1=CC(=CC=C1)N1CCCCC1
4-(3,4-Difluorophenyl)-1,3-thiazol-2-amine, 97%, Thermo Scientific™
CAS: 175135-32-7 Molecular Formula: C9H6F2N2S Molecular Weight (g/mol): 212.218 MDL Number: MFCD00052876 InChI Key: NDCSJUJQMRFHEX-UHFFFAOYSA-N Synonym: 4-3,4-difluorophenyl-1,3-thiazol-2-amine,2-amino-4-3,4-difluorophenyl thiazole,4-3,4-difluorophenyl thiazol-2-amine,4-3,4-difluoro-phenyl-thiazol-2-ylamine,2-amino-4-3,4-difluorophenyl-1,3-thiazole,2-thiazolamine,4-3,4-difluorophenyl,4-3,4-difluoro-phenyl-1,3-thiazol-2-amine,4-3,4-difluorophenyl-1,3-thiazole-2-ylamine,pubchem14456,timtec-bb sbb005523 PubChem CID: 706326 IUPAC Name: 4-(3,4-difluorophenyl)-1,3-thiazol-2-amine SMILES: C1=CC(=C(C=C1C2=CSC(=N2)N)F)F
2-Tetrahydropyran-4-ylethanol, 97%, Thermo Scientific™
CAS: 4677-18-3 Molecular Formula: C7H14O2 Molecular Weight (g/mol): 130.19 MDL Number: MFCD00129068 InChI Key: XZXZZACRGBBWTQ-UHFFFAOYSA-N Synonym: 2-tetrahydro-2h-pyran-4-yl ethanol,2-oxan-4-yl ethan-1-ol,2-tetrahydro-pyran-4-yl-ethanol,2-tetrahydropyran-4-ylethanol,2-oxan-4-yl ethanol,4-2-hydroxyethyl oxane,4-hydroxyethyl tetrahydropyran,2h-pyran-4-ethanol, tetrahydro,2-tetrahydro-2h-pyran-4-yl ethan-1-ol,2-tetrahydro-2h-pyran-4-ylethanol PubChem CID: 17750944 SMILES: OCCC1CCOCC1
2-Morpholinoaniline, 97%, Thermo Scientific™
CAS: 5585-33-1 Molecular Formula: C10H14N2O Molecular Weight (g/mol): 178.235 MDL Number: MFCD00047408 InChI Key: QKWLVAYDAHQMLG-UHFFFAOYSA-N Synonym: 2-morpholinoaniline,2-morpholin-4-yl aniline,2-morpholin-4-yl-phenylamine,2-4-morpholino aniline,4-2-aminophenyl morpholine,2-4-morpholinyl aniline,2-morpholin-4-ylphenylamine,enamine_000782,acmc-1ap2s PubChem CID: 735756 IUPAC Name: 2-morpholin-4-ylaniline SMILES: C1COCCN1C2=CC=CC=C2N
2-(1H-Imidazol-1-yl)aniline, 97%, Thermo Scientific™
CAS: 26286-54-4 Molecular Formula: C9H9N3 Molecular Weight (g/mol): 159.192 MDL Number: MFCD03274531 InChI Key: HVECTIQVQPUSEX-UHFFFAOYSA-N Synonym: 2-1h-imidazol-1-yl aniline,2-1-imidazolyl aniline,2-imidazol-1-yl-phenylamine,2-imidazol-1-yl aniline,benzenamine,2-1h-imidazol-1-yl,2-imidazolylphenylamine,2-1h-imidazol-1-yl benzenamine,pubchem10103,n-o-aminophenyl imidazole,2-imidazol-1-ylphenylamine PubChem CID: 320166 IUPAC Name: 2-imidazol-1-ylaniline SMILES: C1=CC=C(C(=C1)N)N2C=CN=C2
1-(4-Acetylpiperidino)ethan-1-one, 97%, Thermo Scientific™
CAS: 162368-01-6 Molecular Formula: C9H15NO2 Molecular Weight (g/mol): 169.22 MDL Number: MFCD00106774 InChI Key: VFZXZEJGLKOTBW-UHFFFAOYSA-N Synonym: 1-4-acetylpiperidino ethan-1-one,1-1-acetylpiperidin-4-yl ethanone,1,4-diacetylpiperidine,1-4-acetylpiperidin-1-yl ethan-1-one,1,1'-piperidine-1,4-diyl diethanone,1-1-acetyl-piperidin-4-yl-ethanone,piperidine, 1,4-diacetyl-9ci,1-4-acetylpiperidin-1-yl ethanone,ethanone,1-1-acetyl-4-piperidinyl,piperidine, 1,4-diacetyl PubChem CID: 2777250 IUPAC Name: 1-(1-acetylpiperidin-4-yl)ethanone SMILES: CC(=O)C1CCN(CC1)C(C)=O