Organoheterocyclic compounds

EX 527

CAS: 49843-98-3 Molecular Formula: C13H13ClN2O Molecular Weight (g/mol): 248.71 MDL Number: MFCD03009471 InChI Key: FUZYTVDVLBBXDL-UHFFFAOYSA-N Synonym: selisistat,sirt1 inhibitor iii,1h-carbazole-1-carboxamide, 6-chloro-2,3,4,9-tetrahydro,6-chloro-2,3,4,9-tetrahydro-1h-carbazole-1-carboxamide, racemic,selisistat inn,6-chloro-1,2,3,4,9-pentahydro-4ah-carbazolecarboxamide,ex-527 selisistat,ex 527 selisistat,d0e3lp,cambridge id 6859180 PubChem CID: 5113032 IUPAC Name: 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide SMILES: C1CC(C2=C(C1)C3=C(N2)C=CC(=C3)Cl)C(=O)N

Brompheniramine maleate

Tazobactam, 94%

CAS: 89786-04-9 Molecular Formula: C10H12N4O5S Molecular Weight (g/mol): 300.29 MDL Number: MFCD00917472 MFCD00867002 InChI Key: LPQZKKCYTLCDGQ-WEDXCCLWSA-N Synonym: tazobactam,tazobactam acid,tazobactamum,zosyn,unii-se10g96m8w,ytr-830h,ytr 830h,chembl404,ytr830h,2s,3s,5r-3-methyl-7-oxo-3-1h-1,2,3-triazol-1-ylmethyl-4-thia-1-azabicyclo 3.2.0 heptane-2-carboxylic acid 4,4-dioxide PubChem CID: 123630 ChEBI: CHEBI:9421 IUPAC Name: (2S,3S,5R)-3-methyl-4,4,7-trioxo-3-[(1H-1,2,3-triazol-1-yl)methyl]-4λ⁶-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid SMILES: C[C@]1(CN2C=CN=N2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O

2-Aminopyridine-4-methanol, 97%

CAS: 105250-17-7 Molecular Formula: C6H9N2O Molecular Weight (g/mol): 125.15 MDL Number: MFCD03791261 InChI Key: ZRJJXXDQIQFZBW-UHFFFAOYSA-O Synonym: 2-aminopyridin-4-yl methanol,2-amino-pyridin-4-yl-methanol,2-aminopyridine-4-methanol,2-amino-4-pyridinylmethanol,4-pyridinemethanol, 2-amino,2-aminopyridin-4-yl-methanol,2-amino-4-pyridinemethanol,2-amino-4-pyridinyl methanol,2-amino-4-hydroxymethylpyridine,2-amino-4-pyridyl methan-1-ol PubChem CID: 1515296 IUPAC Name: (2-aminopyridin-4-yl)methanol SMILES: NC1=CC(CO)=CC=[NH+]1

Thermo Scientific Chemicals Chelidamic acid monohydrate, 98%

CAS: 199926-39-1 Molecular Formula: C₇H₅NO₅·H₂O Molecular Weight (g/mol): 201.14 MDL Number: MFCD03818117 InChI Key: SNGPHFVJWBKEDG-UHFFFAOYSA-N Synonym: 4-oxo-1,4-dihydropyridine-2,6-dicarboxylic acid hydrate,chelidamic acid monohydrate,4-oxo-1h-pyridine-2,6-dicarboxylic acid hydrate,1,4-dihydro-4-oxo-2,6-pyridinedicarboxylic acid hydrate,4-hydroxypyridine-2,6-dicarboxylic acid hydrate,chelidamic acid hydrate, powder,4-hydroxypyridine-2,6-dicarboxylic acid monohydrate,chelidamic acid hydrate dried material, t , ∼1 mol/mol water PubChem CID: 12302905 IUPAC Name: 4-oxo-1H-pyridine-2,6-dicarboxylic acid;hydrate SMILES: C1=C(NC(=CC1=O)C(=O)O)C(=O)O.O

2-Thiohydantoin, 98%

CAS: 503-87-7 Molecular Formula: C3H4N2OS Molecular Weight (g/mol): 116.14 MDL Number: MFCD00005277 InChI Key: UGWULZWUXSCWPX-UHFFFAOYSA-N Synonym: 2-thiohydantoin,thiohydantoin,4-imidazolidinone, 2-thioxo,2-thioxoimidazolidin-4-one,2-thioguidanthion,hydantoin, 2-thio,usaf be-25,2-thioxo-4-imidazolidinone,2-thioxo-1,3-diazolidin-4-one,glycine thiohydantoin PubChem CID: 1274030 IUPAC Name: 2-sulfanylideneimidazolidin-4-one SMILES: O=C1CNC(=S)N1

1,2-Epoxydecane, 97%

CAS: 2404-44-6 Molecular Formula: C10H20O Molecular Weight (g/mol): 156.27 MDL Number: MFCD00005158 InChI Key: AAMHBRRZYSORSH-UHFFFAOYNA-N Synonym: 1,2-epoxydecane,oxirane, octyl,octyloxirane,oxirane, 2-octyl,1,2-decylene oxide,ccris 2615,epoxides, c>8-alkyl,decene oxide,epoxy decane,oxirane,octyl PubChem CID: 16993 IUPAC Name: 2-octyloxirane SMILES: CCCCCCCCC1CO1

(R)-(+)-Styrene oxide, 98%

CAS: 20780-53-4 Molecular Formula: C8H8O Molecular Weight (g/mol): 120.15 MDL Number: MFCD00066210 InChI Key: AWMVMTVKBNGEAK-QMMMGPOBSA-N Synonym: r-styrene oxide,r-phenyloxirane,r-+-styrene oxide,r-2-phenyloxirane,2r-2-phenyloxirane,r-epoxyethyl benzene,oxirane, phenyl-, 2r,benzene, epoxyethyl-, r PubChem CID: 114705 ChEBI: CHEBI:45389 IUPAC Name: (2R)-2-phenyloxirane SMILES: C1O[C@@H]1C1=CC=CC=C1

(S)-(-)-Propylene oxide, 99%

CAS: 16088-62-3 Molecular Formula: C3H6O Molecular Weight (g/mol): 58.08 MDL Number: MFCD00064312 InChI Key: GOOHAUXETOMSMM-VKHMYHEASA-N Synonym: s---propylene oxide,s-propylene oxide,2s-2-methyloxirane,s-1,2-epoxypropane,--propylene oxide,s-2-methyloxirane,--methyloxirane,s-methyloxirane,s---1,2-epoxypropane PubChem CID: 146262 ChEBI: CHEBI:28982 IUPAC Name: (2S)-2-methyloxirane SMILES: C[C@H]1CO1

Allyl glycidyl ether, 97%

CAS: 106-92-3 Molecular Formula: C6H10O2 Molecular Weight (g/mol): 114.144 MDL Number: MFCD00005143 InChI Key: LSWYGACWGAICNM-UHFFFAOYSA-N Synonym: allyl glycidyl ether,glycidyl allyl ether,allylglycidaether,oxirane, 2-propenyloxy methyl,allyl 2,3-epoxypropyl ether,allil-glicidil-etere,neoallyl g,1,2-epoxy-3-allyloxypropane,1-allyloxy-2,3-epoxypropane,santolin xi PubChem CID: 7838 IUPAC Name: 2-(prop-2-enoxymethyl)oxirane SMILES: C=CCOCC1CO1

1,2-Epoxy-5-hexene, 98%

CAS: 10353-53-4 Molecular Formula: C₆H₁₀O Molecular Weight (g/mol): 98.15 MDL Number: MFCD00010051 InChI Key: MUUOUUYKIVSIAR-UHFFFAOYSA-N Synonym: 1,2-epoxy-5-hexene,diallyl monoxide,2-3-butenyl oxirane,diallyl monooxide,oxirane, 3-butenyl,3-butenyloxirane,1-hexene, 5,6-epoxy,2-but-3-en-1-yl oxirane,5,6-epoxyhex-1-ene,ccris 3748 PubChem CID: 66314 IUPAC Name: 2-but-3-enyloxirane SMILES: C=CCCC1CO1

(2R,3S)-3-(N-BOC-amino)-1-oxirane-4-phenylbutane, 98%, Thermo Scientific™

CAS: 98760-08-8 Molecular Formula: C15H21NO3 Molecular Weight (g/mol): 263.34 MDL Number: MFCD00671705,MFCD02258997 InChI Key: NVPOUMXZERMIJK-UHFFFAOYNA-N Synonym: 2r,3s-3-tert-butoxycarbonyl amino-1,2-epoxy-4-phenylbutane,2r,3s-1,2-epoxy-3-boc-amino-4-phenylbutane,tert-butyl s-1-r-oxiran-2-yl-2-phenylethyl carbamate,tert-butyl 1s,2r-oxiranyl-2-phenylethyl carbamate,threo-n-boc-l-phenylalanine epoxide,tert-butyl n-1s-1-2r-oxiran-2-yl-2-phenylethyl carbamate,2r,3s-3-n-boc-amino-1-oxirane-4-phenylbutane,2r,3s-3-tert-boc amino-1,2-epoxy-4-phenylbutane,atazanavir impurity c,pubchem5823 PubChem CID: 9813904 IUPAC Name: tert-butyl N-[(1S)-1-[(2R)-oxiran-2-yl]-2-phenylethyl]carbamate SMILES: CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C1CO1

Allyl Glycidyl Ether, 99+%

CAS: 106-92-3 Molecular Formula: C₆H₁₀O₂ Molecular Weight (g/mol): 114.14 MDL Number: MFCD00005143 InChI Key: LSWYGACWGAICNM-UHFFFAOYSA-N Synonym: allyl glycidyl ether,glycidyl allyl ether,allylglycidaether,oxirane, 2-propenyloxy methyl,allyl 2,3-epoxypropyl ether,allil-glicidil-etere,neoallyl g,1,2-epoxy-3-allyloxypropane,1-allyloxy-2,3-epoxypropane,santolin xi PubChem CID: 7838 IUPAC Name: 2-(prop-2-enoxymethyl)oxirane SMILES: C=CCOCC1CO1

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

(S)-(+)-Epichlorohydrin, 98+%

CAS: 67843-74-7 Molecular Formula: C3H5ClO Molecular Weight (g/mol): 92.52 MDL Number: MFCD00077760 InChI Key: BRLQWZUYTZBJKN-GSVOUGTGSA-N Synonym: s-+-epichlorohydrin,s-epichlorohydrin,2s-2-chloromethyl oxirane,s-chloromethyl oxirane,s-3-chloropropylene oxide,s-2-chloromethyl oxirane,epichlorohydrin, +,unii-scr89b4r6o,ccris 6388 PubChem CID: 149428 ChEBI: CHEBI:37145 IUPAC Name: (2S)-2-(chloromethyl)oxirane SMILES: ClC[C@@H]1CO1