Organoheterocyclic compounds
Aripiprazole
CAS: 129722-12-9 Molecular Formula: C23H27Cl2N3O2 Molecular Weight (g/mol): 448.39 InChI Key: CEUORZQYGODEFX-UHFFFAOYSA-N Synonym: aripiprazole,abilify,abilitat,abilify discmelt,discmelt,aripiprazol,opc 31,aripiprazole usan,aripiprazolum,aripirazole PubChem CID: 60795 ChEBI: CHEBI:31236 IUPAC Name: 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one SMILES: C1CC(=O)NC2=C1C=CC(=C2)OCCCCN3CCN(CC3)C4=C(C(=CC=C4)Cl)Cl
N-Methyl-(tetrahydropyran-4-ylmethyl)amine, 97%, Thermo Scientific™
CAS: 439081-52-4 Molecular Formula: C7H15NO Molecular Weight (g/mol): 129.20 MDL Number: MFCD06739009 InChI Key: WMBCUXKYKVTJRF-UHFFFAOYSA-N Synonym: methyl oxan-4-ylmethyl amine,methyl-tetrahydropyran-4-ylmethyl amine,n-methyl-1-tetrahydro-2h-pyran-4-yl methanamine,methyl-tetrahydro-pyran-4-ylmethyl-amine,n-methyl-tetrahydropyran-4-ylmethyl amine,4-methylamino methyl tetrahydropyran,2h-pyran-4-methanamine, tetrahydro-n-methyl,n-methyl-1-tetrahydro-2h-pyran-4-yl methylamine,n-methyl tetrahydro-2h-pyran-4-yl methanamine,4-methylamino methyl tetrahydro-2h-pyran PubChem CID: 22225668 IUPAC Name: N-methyl-1-(oxan-4-yl)methanamine SMILES: CNCC1CCOCC1
trans-Stilbene oxide, 99%, Thermo Scientific Chemicals
CAS: 1439-07-2 Molecular Formula: C14H12O Molecular Weight (g/mol): 196.25 MDL Number: MFCD00064311 InChI Key: ARCJQKUWGAZPFX-KWCCSABGSA-N Synonym: trans-stilbene oxide,3r-2,3-diphenyloxirane,2r-2alpha,3-diphenyloxirane PubChem CID: 5742860 IUPAC Name: (3R)-2,3-diphenyloxirane SMILES: C1=CC=C(C=C1)C2C(O2)C3=CC=CC=C3
Serotonin hydrochloride, 97+%
CAS: 153-98-0 Molecular Formula: C10H12N2O·HCl Molecular Weight (g/mol): 212.68 MDL Number: MFCD00012686 InChI Key: MDIGAZPGKJFIAH-UHFFFAOYSA-N Synonym: serotonin hydrochloride,5-hydroxytryptamine hydrochloride,3-2-aminoethyl-1h-indol-5-ol hydrochloride,serotonin hcl,5-hydroxytryptamine hcl,unii-gkn429m9vs,ccris 4420,1h-indol-5-ol, 3-2-aminoethyl-, monohydrochloride,gkn429m9vs,3-2-aminoethyl indol-5-ol, chloride PubChem CID: 160436 IUPAC Name: 3-(2-aminoethyl)-1H-indol-5-ol;hydrochloride SMILES: C1=CC2=C(C=C1O)C(=CN2)CCN.Cl
4-Bromo-3-phenyl-1H-pyrazol-5-amine, ≥95%, Thermo Scientific™
CAS: 2845-78-5 Molecular Formula: C9H8BrN3 Molecular Weight (g/mol): 238.09 MDL Number: MFCD00082666 InChI Key: QTNVXMOPTHGCII-UHFFFAOYSA-N Synonym: 4-bromo-3-phenyl-1h-pyrazol-5-amine,3-amino-4-bromo-5-phenylpyrazole,4-bromo-5-phenyl-2h-pyrazol-3-amine,3-amino-4-bromo-5-phenyl-1h-pyrazole,1h-pyrazol-3-amine,4-bromo-5-phenyl,acmc-20amn3,maybridge1_004579,4-bromo-3-phenylpyrazole-5-ylamine,4-bromo-5-phenylpyrazole-3-ylamine,4-bromo-3-phenyl-1h-pyrazole-5-amine PubChem CID: 594319 IUPAC Name: 4-bromo-5-phenyl-1H-pyrazol-3-amine SMILES: NC1=NNC(=C1Br)C1=CC=CC=C1
N-Boc-1-Boc-L-tryptophan, 95%
CAS: 144599-95-1 Molecular Formula: C21H28N2O6 Molecular Weight (g/mol): 404.46 MDL Number: MFCD00270520 InChI Key: FATGZMFSCKUQGO-HNNXBMFYSA-N Synonym: boc-trp boc-oh,s-3-1-tert-butoxycarbonyl-1h-indol-3-yl-2-tert-butoxycarbonyl amino propanoic acid,boc-l-trp boc-oh,ambotzbaa1140,nalpha,1-di-boc-l-tryptophan,n,n'-di-t-butyloxycarbonyl-l-tryptophane,2s-2-2-methylpropan-2-yl oxycarbonylamino-3-1-2-methylpropan-2-yl oxycarbonyl indol-3-yl propanoic acid,2s-2-tert-butoxycarbonyl amino-3-1-tert-butoxycarbonyl indol-3-yl propanoic acid,2s-3-1-tert-butoxy carbonyl-1h-indol-3-yl-2-tert-butoxy carbonyl amino propanoic acid PubChem CID: 7020330 IUPAC Name: (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]propanoic acid SMILES: CC(C)(C)OC(=O)N[C@@H](CC1=CN(C(=O)OC(C)(C)C)C2=CC=CC=C12)C(O)=O
Phthalan, 98%
CAS: 496-14-0 Molecular Formula: C8H8O Molecular Weight (g/mol): 120.151 MDL Number: MFCD00005932 InChI Key: SFLGSKRGOWRGBR-UHFFFAOYSA-N Synonym: phthalan,1,3-dihydroisobenzofuran,isocoumaran,isobenzofuran, 1,3-dihydro,o-xylylene oxide,2-oxaindan,1,3-dihydro isobenzofuran,unii-2r6ntq7y6g,ccris 1557,2r6ntq7y6g PubChem CID: 10327 IUPAC Name: 1,3-dihydro-2-benzofuran SMILES: C1C2=CC=CC=C2CO1
1-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole, 97%, Thermo Scientific™
CAS: 898289-06-0 Molecular Formula: C15H20BNO2 Molecular Weight (g/mol): 257.14 MDL Number: MFCD08690266 InChI Key: CBEYYYCGOCYJIK-UHFFFAOYSA-N Synonym: 1-methyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-indole,1-methyl-4-tetramethyl-1,3,2-dioxaborolan-2-yl indole,1h-indole, 1-methyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl,1-methyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl indole,1-methylindol-4-boronic acid pinacol ester,1-methylindol-4-boronic acid, pinacol ester,1-methyl-1h-indol-4-yl boronic acid pinacol ester,4,4,5,5-tetramethyl-2-1-methylindol-4-yl-1,3,2-dioxaborolane,1-methyl-4-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl-1h-indole,1-methyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl-1h-indole PubChem CID: 18525785 SMILES: CN1C=CC2=C(C=CC=C12)B1OC(C)(C)C(C)(C)O1
1,2,5-Oxadiazole-3-carboxylic acid, ≥97%, Thermo Scientific™
CAS: 88598-08-7 Molecular Formula: C3H2N2O3 Molecular Weight (g/mol): 114.06 MDL Number: MFCD00604386 InChI Key: JBLHCUQCDKBPGY-UHFFFAOYSA-N Synonym: furazan-3-carboxylic acid,3-carboxy-1,2,5-oxadiazole,1,2,5-oxadiazole-3-carboxylicacid,acmc-1bkac,1,2,5-oxadiazole, oxd4,9ci PubChem CID: 1415524 IUPAC Name: 1,2,5-oxadiazole-3-carboxylic acid SMILES: OC(=O)C1=NON=C1
Furfuryl acetate, 97%
CAS: 623-17-6 Molecular Formula: C7H8O3 Molecular Weight (g/mol): 140.138 MDL Number: MFCD00003251 InChI Key: CKOYRRWBOKMNRG-UHFFFAOYSA-N Synonym: furfuryl acetate,2-furanmethanol, acetate,2-furanmethanol acetate,2-acetoxymethylfuran,furfuryl alcohol, acetate,acetic acid furfurylester,acetic acid furfuryl ester,2-furanmethyl acetate,2-furfuryl acetate,2-furylmethyl acetate PubChem CID: 12170 IUPAC Name: furan-2-ylmethyl acetate SMILES: CC(=O)OCC1=CC=CO1
4-(Tetrahydropyran-4-yloxy)benzoic acid, 97%, Thermo Scientific™
CAS: 851048-51-6 Molecular Formula: C12H14O4 Molecular Weight (g/mol): 222.24 MDL Number: MFCD09025874 InChI Key: MPNYLYRGNCZFFH-UHFFFAOYSA-N PubChem CID: 24229519 IUPAC Name: 4-(oxan-4-yloxy)benzoic acid SMILES: C1COCCC1OC2=CC=C(C=C2)C(=O)O
Indomethacin, 98%
CAS: 53-86-1 Molecular Formula: C19H16ClNO4 Molecular Weight (g/mol): 357.79 MDL Number: MFCD00057095 InChI Key: CGIGDMFJXJATDK-UHFFFAOYSA-N Synonym: indomethacin,indometacin,indocin,indometacine,indomethacine,indocid,metindol,amuno,indomethazine,imbrilon PubChem CID: 3715 ChEBI: CHEBI:49662 IUPAC Name: 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid SMILES: CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O
3-Thiopheneacetonitrile, 98%
CAS: 13781-53-8 Molecular Formula: C6H5NS Molecular Weight (g/mol): 123.17 MDL Number: MFCD00005471 InChI Key: GWZCLMWEJWPFFA-UHFFFAOYSA-N Synonym: 3-thiopheneacetonitrile,thiophene-3-acetonitrile,2-thiophen-3-yl acetonitrile,3-thienylacetonitrile,3-cyanomethylthiophene,3-thiophene acetonitrile,thien-3-ylacetonitrile,2-3-thienyl acetonitrile,thiophen-3-acetonitrile,2-3-thienyl ethanenitrile PubChem CID: 83730 IUPAC Name: 2-thiophen-3-ylacetonitrile SMILES: N#CCC1=CSC=C1