Organoheterocyclic compounds

ε-Caprolactone monomer, 99%, ACROS Organics™

CAS: 502-44-3 Molecular Formula: C6H10O2 Molecular Weight (g/mol): 114.144 MDL Number: MFCD00003267 InChI Key: PAPBSGBWRJIAAV-UHFFFAOYSA-N Synonym: 6-hexanolactone, epsilon-caprolactone, 2-oxepanone, caprolactone, hexan-6-olide, 6-hexanolide, hexano-6-lactone, 1,6-hexanolide, e-caprolactone, 1-oxa-2-oxocycloheptane PubChem CID: 10401 ChEBI: CHEBI:17915 IUPAC Name: oxepan-2-one SMILES: C1CCC(=O)OCC1

Tetrahydrofuran (HPLC), Fisher Chemical Available on GSA/VA Contract for Federal Government customers only.

CAS: 109-99-9 Molecular Formula: C4H8O Molecular Weight (g/mol): 72.107 MDL Number: MFCD00005356 InChI Key: WYURNTSHIVDZCO-UHFFFAOYSA-N Synonym: tetrahydrofuran, furan, tetrahydro, butylene oxide, furanidine, hydrofuran, tetramethylene oxide, oxacyclopentane, 1,4-epoxybutane, tetrahydrofuranne, tetraidrofurano PubChem CID: 8028 ChEBI: CHEBI:26911 IUPAC Name: oxolane SMILES: C1CCOC1

Alfa Aesar™ Nitrofurantoin, 98%

CAS: 67-20-9 Molecular Formula: C8H6N4O5 Molecular Weight (g/mol): 238.159 MDL Number: MFCD00003224 InChI Key: NXFQHRVNIOXGAQ-YCRREMRBSA-N Synonym: nitrofurantoin, macrodantin, 5-nitrofurantoin, furadantin, furadonine, nitrofurantoine, furadantine, furadantoin, furadoine, furadontin PubChem CID: 6604200 ChEBI: CHEBI:71415 IUPAC Name: 1-[(E)-(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione SMILES: C1C(=O)NC(=O)N1N=CC2=CC=C(O2)[N+](=O)[O-]

Alfa Aesar™ 1-(Cyanoacetyl)pyrrolidine, 98+%

CAS: 14227-95-3 Molecular Formula: C7H10N2O Molecular Weight (g/mol): 138.17 MDL Number: MFCD00020838 InChI Key: VEUDVNNBYYRZBV-UHFFFAOYSA-N Synonym: 1-cyanoacetyl pyrrolidine, 3-oxo-3-pyrrolidin-1-yl propanenitrile, 1-cyanoacetylpyrrolidine, 3-oxo-3-1-pyrrolidinyl propanenitrile, pyrrolidine, 1-cyanoacetyl, 1-pyrrolidinepropanenitrile,b-oxo, 3-oxo-3-pyrrolidinylpropanenitrile, n-cyanoacetylpyrrolidine, acmc-20ak5f, oxopyrrolidinylpropanenitrile PubChem CID: 84272 IUPAC Name: 3-oxo-3-pyrrolidin-1-ylpropanenitrile SMILES: C1CCN(C1)C(=O)CC#N

1,2-Bis[(2R,5R)-2,5-diphenyl-1-phospholanyl]ethane, 97+%, Alfa Aesar™

CAS: 528565-79-9 Molecular Formula: C34H36P2 Molecular Weight (g/mol): 506.61 MDL Number: MFCD07369027 InChI Key: VHHAZLMVLLIMHT-YFRBGRBWSA-N Synonym: --1,2-bis 2r,5r-2,5-diphenylphospholano ethane, --1,2-bis 2r,5r-2,5-diphenylphospholano ethane,, 1,2-bis 2r,5r-2,5-diphenylphospholan-1-yl ethane, 1,1'-ethylenebis 2beta,5alpha-diphenyltetrahydro-1h-phosphole, --1,2-bis 2r,5r-2,5-diphenylphospholano ethane, kanata purity, 2r,5r-1-2-2r,5r-2,5-diphenylphospholan-1-yl ethyl-2,5-diphenylphospholane PubChem CID: 11420783 IUPAC Name: (2R,5R)-1-[2-[(2R,5R)-2,5-diphenylphospholan-1-yl]ethyl]-2,5-diphenylphospholane SMILES: C1CC(P(C1C2=CC=CC=C2)CCP3C(CCC3C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6

Alfa Aesar™ Nalidixic acid sodium salt

CAS: 3374-05-8 Molecular Formula: C12H11N2NaO3 Molecular Weight (g/mol): 254.22 MDL Number: MFCD00064376 InChI Key: ROKRAUFZFDQWLE-UHFFFAOYSA-M Synonym: nalidixic acid sodium salt, baktogram, nalidixic acid sodium, sodium nalidixate, chemiurin, dixilina, nalidixate sodium anhydrous, nalidixate sodium, nalidixate sodium anhydrous usan, 1-ethyl-1,4-dihydro-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid sodium salt PubChem CID: 3864541 IUPAC Name: sodium;1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate SMILES: CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)[O-].[Na+]

beta-Propiolactone, 97%, Alfa Aesar™

CAS: 57-57-8 Molecular Formula: C3H4O2 Molecular Weight (g/mol): 72.063 MDL Number: MFCD00005169 InChI Key: VEZXCJBBBCKRPI-UHFFFAOYSA-N Synonym: beta-propiolactone, propiolactone, 2-oxetanone, propanolide, betaprone, 3-propanolide, 1,3-propiolactone, 3-propiolactone, beta-propionolactone, beta-propiolakton PubChem CID: 2365 ChEBI: CHEBI:49073 IUPAC Name: oxetan-2-one SMILES: C1COC1=O

Pyridine (Certified ACS), Fisher Chemical

CAS: 110-86-1 Molecular Formula: C5H5N Molecular Weight (g/mol): 79.102 MDL Number: MFCD00011732 InChI Key: JUJWROOIHBZHMG-UHFFFAOYSA-N Synonym: azabenzene, azine, pyridin, piridina, pirydyna, pyridin german, pirydyna polish, piridina italian, rcra waste number u196, caswell no. 717 PubChem CID: 1049 ChEBI: CHEBI:16227 IUPAC Name: pyridine SMILES: C1=CC=NC=C1

Alfa Aesar™ Thiodiglycolic anhydride, 98%

CAS: 3261-87-8 Molecular Formula: C4H4O3S Molecular Weight (g/mol): 132.133 MDL Number: MFCD00051689 InChI Key: RIIUAPMWDSRBSH-UHFFFAOYSA-N Synonym: thiodiglycolic anhydride, 1-oxa-4-thia-cyclohexan-2,6-dione PubChem CID: 137871 IUPAC Name: 1,4-oxathiane-2,6-dione SMILES: C1C(=O)OC(=O)CS1

Phthalic anhydride, ACS reagent, ACROS Organics™

CAS: 85-44-9 Molecular Formula: C8H4O3 Molecular Weight (g/mol): 148.117 MDL Number: MFCD00005918 InChI Key: LGRFSURHDFAFJT-UHFFFAOYSA-N Synonym: phthalic anhydride, isobenzofuran-1,3-dione, 1,3-isobenzofurandione, 1,3-dioxophthalan, 1,3-phthalandione, phthalsaeureanhydrid, phthalic acid anhydride, o-phthalic acid anhydride, phthalandione, retarder esen PubChem CID: 6811 ChEBI: CHEBI:36605 IUPAC Name: 2-benzofuran-1,3-dione SMILES: C1=CC=C2C(=C1)C(=O)OC2=O

Alfa Aesar™ Indole-5-carboxylic acid, 98%

CAS: 1670-81-1 Molecular Formula: C9H7NO2 Molecular Weight (g/mol): 161.16 MDL Number: MFCD00005678 InChI Key: IENZCGNHSIMFJE-UHFFFAOYSA-N Synonym: indole-5-carboxylic acid, 5-carboxyindole, 5-indolecarboxylic acid, indole-5-carboxylic aicd, pubchem1694, 5-carboxy-1h-indole, indole-5-carboxylicacid, indol-5-carboxylic acid, 5-indole carboxylic acid, indole 5-carboxylic acid PubChem CID: 74280 IUPAC Name: 1H-indole-5-carboxylic acid SMILES: C1=CC2=C(C=CN2)C=C1C(=O)O

Uracil, +99%, ACROS Organics™

CAS: 66-22-8 Molecular Formula: C4H4N2O2 Molecular Weight (g/mol): 112.088 MDL Number: MFCD00006016 InChI Key: ISAKRJDGNUQOIC-UHFFFAOYSA-N Synonym: uracil, 2,4-dihydroxypyrimidine, 2,4 1h,3h-pyrimidinedione, 2,4-pyrimidinediol, 2,4-dioxopyrimidine, pyrimidine-2,4 1h,3h-dione, pirod, 2,4-pyrimidinedione, pyrod, hybar x PubChem CID: 1174 ChEBI: CHEBI:17568 IUPAC Name: 1H-pyrimidine-2,4-dione SMILES: C1=CNC(=O)NC1=O

4-Imidazoleacetic acid hydrochloride, 99%, ACROS Organics™

CAS: 3251-69-2 Molecular Formula: C5H7ClN2O2 Molecular Weight (g/mol): 162.573 MDL Number: MFCD00012698 InChI Key: MWHLCFYPFGFBQO-UHFFFAOYSA-N Synonym: 4-imidazoleacetic acid hydrochloride, 2-1h-imidazol-5-yl acetic acid hydrochloride, imidazole-4-acetic acid hydrochloride, 2-1h-imidazol-4-yl acetic acid hydrochloride, 4-imidazoleacetic acid hcl, imidazoleacetic acid hydrochloride, unii-et7a74roao, 4-imidazoleaceticacidhydrochloride, i4aa, et7a74roao PubChem CID: 145685 IUPAC Name: 2-(1H-imidazol-5-yl)acetic acid;hydrochloride SMILES: C1=C(NC=N1)CC(=O)O.Cl

Creatinine, 99+%, ACROS Organics™

CAS: 60-27-5 Molecular Formula: C4H7N3O Molecular Weight (g/mol): 113.12 InChI Key: DDRJAANPRJIHGJ-UHFFFAOYSA-N Synonym: creatinine, 2-imino-1-methylimidazolidin-4-one, 1-methylglycocyamidine, 1-methylhydantoin-2-imide, creatinine,heated, 4h-imidazol-4-one, 2-amino-1,5-dihydro-1-methyl, 2-amino-1-methylimidazolin-4-one, creatinina, kreatinin, unii-ayi8ex34eu PubChem CID: 588 ChEBI: CHEBI:16737 IUPAC Name: 2-amino-3-methyl-4H-imidazol-5-one SMILES: CN1CC(=O)N=C1N

N-Ethylmaleimide, 99+%, ACROS Organics™

CAS: 128-53-0 Molecular Formula: C6H7NO2 Molecular Weight (g/mol): 125.127 InChI Key: HDFGOPSGAURCEO-UHFFFAOYSA-N Synonym: n-ethylmaleimide, ethylmaleimide, 1-ethyl-1h-pyrrole-2,5-dione, maleimide, n-ethyl, 1h-pyrrole-2,5-dione, 1-ethyl, maleic acid n-ethylimide, nem, usaf b-121, unii-o3c74acm9v, maleic acid-n-ethylimide PubChem CID: 4362 ChEBI: CHEBI:44485 IUPAC Name: 1-ethylpyrrole-2,5-dione SMILES: CCN1C(=O)C=CC1=O

2-Mercapto-1-methylimidazole, 98%, ACROS Organics™

CAS: 60-56-0 Molecular Formula: C4H6N2S Molecular Weight (g/mol): 114.166 InChI Key: PMRYVIKBURPHAH-UHFFFAOYSA-N Synonym: methimazole, thiamazole, 2-mercapto-1-methylimidazole, tapazole, mercazolyl, 1-methylimidazole-2-thiol, mercazole, metazolo, methimazol, thiamazol PubChem CID: 1349907 ChEBI: CHEBI:50673 IUPAC Name: 3-methyl-1H-imidazole-2-thione SMILES: CN1C=CNC1=S

N-Hydroxysuccinimide, 98+%, ACROS Organics™

CAS: 6066-82-6 Molecular Formula: C4H5NO3 Molecular Weight (g/mol): 115.088 MDL Number: MFCD00005516 InChI Key: NQTADLQHYWFPDB-UHFFFAOYSA-N Synonym: n-hydroxysuccinimide, hosu, 1-hydroxysuccinimide, 2,5-pyrrolidinedione, 1-hydroxy, 1-hydroxy-2,5-pyrrolidinedione, succinimide, n-hydroxy, n-hydroxysuccinimde, n-hydroxysuccinimid, unii-mje3791m4t, ccris 2604 PubChem CID: 80170 IUPAC Name: 1-hydroxypyrrolidine-2,5-dione SMILES: C1CC(=O)N(C1=O)O

Thiochroman-4-one, ACROS Organics™

CAS: 3528-17-4 Molecular Formula: C9H8OS Molecular Weight (g/mol): 164.222 MDL Number: MFCD00006882 InChI Key: CVQSWZMJOGOPAV-UHFFFAOYSA-N Synonym: thiochroman-4-one, 4h-1-benzothiopyran-4-one, 2,3-dihydro, 2,3-dihydro-4h-thiochromen-4-one, 3,4-dihydro-2h-1-benzothiopyran-4-one, 4h-1-benzothiopyran-4-one,3-dihydro, 2,3-dihydro-1-benzothiopyran-4-one, 4-thiochromanone, thiochroman-4-on, 1-thiochroman-4-one, thiochroman-4-one PubChem CID: 19048 IUPAC Name: 2,3-dihydrothiochromen-4-one SMILES: C1CSC2=CC=CC=C2C1=O

Raltegravir potassium salt, Acros Organics™

CAS: 871038-72-1 Molecular Formula: C20H20FKN6O5 Molecular Weight (g/mol): 482.514 InChI Key: IFUKBHBISRAZTF-UHFFFAOYSA-M Synonym: raltegravir potassium, raltegravir potassium salt, raltegravir potassium salt, raltegravirpotassiumsalt, raltegravir mk-0518, potassium 4-4-fluorobenzyl carbamoyl-1-methyl-2-2-5-methyl-1,3,4-oxadiazole-2-carboxamido propan-2-yl-6-oxo-1,6-dihydropyrimidin-5-olate, isentress tn, raltegravir potassium usan:jan, pubchem22484, n-1-4-4-fluorophenyl methylcarbamoyl-5-hydroxy-1-methyl-6-oxo-pyrimidin-2-yl-1-methyl-ethyl-5-methyl-1,3,4-oxadiazole-2-carboxamide PubChem CID: 23668479 IUPAC Name: potassium;4-[(4-fluorophenyl)methylcarbamoyl]-1-methyl-2-[2-[(5-methyl-1,3,4-oxadiazole-2-carbonyl)amino]propan-2-yl]-6-oxopyrimidin-5-olate SMILES: CC1=NN=C(O1)C(=O)NC(C)(C)C2=NC(=C(C(=O)N2C)[O-])C(=O)NCC3=CC=C(C=C3)F.[K+]

2-Chloro-1,3,2-dioxaphospholane-2-oxide, 95%, ACROS Organics™

CAS: 6609-64-9 Molecular Formula: C2H4ClO3P Molecular Weight (g/mol): 142.475 MDL Number: MFCD00043138 InChI Key: SBMUNILHNJLMBF-UHFFFAOYSA-N Synonym: 2-chloro-2-oxo-1,3,2-dioxaphospholane, ethylene chlorophosphate, 2-chloro-1,3,2-dioxaphospholane-2-oxide, 2-chloro-1,3,2-dioxaphospholane 2-oxide, ethylene glycol chlorophosphate, soqdebhb^bsvusup@, 2-chloro-1,3,2??-dioxaphospholan-2-one, 2-chlor-1,3,2-dioxaphospholan-2-oxid, acmc-1b2u0, ethylene cycl-chlorophosphate PubChem CID: 81087 IUPAC Name: 2-chloro-1,3,2$l^{5}-dioxaphospholane 2-oxide SMILES: C1COP(=O)(O1)Cl

1,4-Benzodioxan-6-amine, 99%, ACROS Organics™

CAS: 22013-33-8 Molecular Formula: C8H9NO2 Molecular Weight (g/mol): 151.165 MDL Number: MFCD00006824 InChI Key: BZKOZYWGZKRTIB-UHFFFAOYSA-N Synonym: 1,4-benzodioxan-6-amine, 3,4-ethylenedioxyaniline, 6-amino-1,4-benzodioxane, 2,3-dihydrobenzo b 1,4 dioxin-6-amine, 6-amino-1,4-benzodioxan, 1,4-benzodioxan-6-ylamine, 1,4-benzodioxin-6-amine, 2,3-dihydro, 3,4-ethylenedioxy aniline, 2,3-dihydro-benzo 1,4 dioxin-6-ylamine, 2,3-dihydro-1,4-benzodioxin-6-amin PubChem CID: 89148 IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-amine SMILES: C1COC2=C(O1)C=CC(=C2)N

Adenine, 99.5+%, ACROS Organics™

CAS: 73-24-5 Molecular Formula: C5H5N5 Molecular Weight (g/mol): 135.13 MDL Number: MFCD00041790 InChI Key: GFFGJBXGBJISGV-UHFFFAOYSA-N Synonym: adenine, 1h-purin-6-amine, 6-aminopurine, 9h-purin-6-amine, vitamin b4, adenin, adeninimine, leuco-4, 6-amino-1h-purine, 6-amino-3h-purine PubChem CID: 190 ChEBI: CHEBI:16708 IUPAC Name: 7H-purin-6-amine SMILES: C1=NC2=C(N1)C(=NC=N2)N

Alfa Aesar™ 6-Bromophthalazin-1(4H)-one, 98%

CAS: 75884-70-7 Molecular Formula: C8H5BrN2O Molecular Weight (g/mol): 225.045 MDL Number: MFCD09264003 InChI Key: QMONLZVJOOMKRW-UHFFFAOYSA-N Synonym: 6-bromophthalazin-1 2h-one, 6-bromophthalazin-1-ol, 6-bromo-1,2-dihydrophthalazin-1-one, 1 2h-phthalazinone,6-bromo, 1 2h-phthalazinone, 6-bromo, ksc642c5d, 6-bromophthalazine-1 2h-one, 6-bromanyl-2h-phthalazin-1-one, 6-bromophthalazine-1 2h-one PubChem CID: 11535918 IUPAC Name: 6-bromo-2H-phthalazin-1-one SMILES: C1=CC2=C(C=C1Br)C=NNC2=O

1-Methylimidazole, 99%, ACROS Organics™

CAS: 616-47-7 Molecular Formula: C4H6N2 Molecular Weight (g/mol): 82.106 MDL Number: MFCD00005292 InChI Key: MCTWTZJPVLRJOU-UHFFFAOYSA-N Synonym: 1-methyl-1h-imidazole, n-methylimidazole, 1h-imidazole, 1-methyl, imidazole, 1-methyl, n-methyl imidazole, 1-methyl-imidazole, unii-p4617qs63y, 1-methyl-1h-imidazol, n-methylimidazol, 1-methylimdazole PubChem CID: 1390 ChEBI: CHEBI:113454 IUPAC Name: 1-methylimidazole SMILES: CN1C=CN=C1

1,3-bis(2,4,6-trimethylphenyl)imidazolidinium chloride, 97%, ACROS Organics™

CAS: 173035-10-4 Molecular Formula: C21H27ClN2 MDL Number: MFCD09039279 Synonym: 1,3-dimesitylimidazolidine hydrochloride, 1,3-bis 2,4,6-trimethylphenyl-imidazolidinium-chloride, 1,3-dimesitylimidazolidine, chloride salt, 1,3-bis-2,4,6-trimethyl-phenyl-imidazolidin-1-ium chloride, 1,3-bis 2,4,6-trimethylphenyl imidazolidine hydrochloride

2,6-Lutidine, 99%, ACROS Organics™

CAS: 108-48-5 Molecular Formula: C7H9N Molecular Weight (g/mol): 107.156 MDL Number: MFCD00006345 InChI Key: OISVCGZHLKNMSJ-UHFFFAOYSA-N Synonym: 2,6-lutidine, lutidine, pyridine, 2,6-dimethyl, 2,6-dimethypyridine, alpha,alpha'-lutidine, alpha,alpha'-dimethylpyridine, 2,6-dimethyl-pyridine, hsdb 79, unii-15fq5d0t3p, 2,6-lutidene PubChem CID: 7937 ChEBI: CHEBI:32548 IUPAC Name: 2,6-dimethylpyridine SMILES: CC1=NC(=CC=C1)C

1,8-Diazabicyclo[5.4.0]undec-7-ene, 98+%, Acros Organics™

CAS: 6674-22-2 Molecular Formula: C9H16N2 Molecular Weight (g/mol): 152.241 MDL Number: MFCD00006930 InChI Key: GQHTUMJGOHRCHB-UHFFFAOYSA-N Synonym: 1,8-diazabicyclo 5.4.0 undec-7-ene, 2,3,4,6,7,8,9,10-octahydropyrimido 1,2-a azepine, 1,8-diazabicyclo 5.4.0 undec-7-ene, polycat dbu, dbu, unii-h1ilj6ibux, pyrimido 1,2-a azepine, 2,3,4,6,7,8,9,10-octahydro, 1,8-diazabicyclo 5.4.0-7-undecene, h1ilj6ibux, 1,8-diazabicyclo 5,4,0 undec-7-ene PubChem CID: 81184 IUPAC Name: 2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine SMILES: C1CCC2=NCCCN2CC1

Alfa Aesar™ Pyridine-2-carboxamide, 98%

CAS: 1452-77-3 Molecular Formula: C6H6N2O Molecular Weight (g/mol): 122.127 MDL Number: MFCD00023483 InChI Key: IBBMAWULFFBRKK-UHFFFAOYSA-N Synonym: picolinamide, 2-pyridinecarboxamide, picolinoylamide, 2-carbamoylpyridine, picolinic acid amide, 2-picolinamide, 2-aminocarbonyl-pyridine, alpha-picolinamide, pyridinecarboxamide, unii-i3550ccl59 PubChem CID: 15070 ChEBI: CHEBI:8200 IUPAC Name: pyridine-2-carboxamide SMILES: C1=CC=NC(=C1)C(=O)N

Alfa Aesar™ Ebselen

CAS: 60940-34-3 Molecular Formula: C13H9NOSe Molecular Weight (g/mol): 274.192 MDL Number: MFCD00210937 InChI Key: DYEFUKCXAQOFHX-UHFFFAOYSA-N Synonym: ebselen, 2-phenyl-1,2-benzisoselenazol-3 2h-one, ebselene, ebseleno, ebselenum, ebselene french, ebselenum latin, ebselen inn, ebseleno spanish, harmokisane PubChem CID: 3194 ChEBI: CHEBI:77543 IUPAC Name: 2-phenyl-1,2-benzoselenazol-3-one SMILES: C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3[Se]2

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