Phenylpropanoids and polyketides

MP Biomedicals, Inc Dimethyl Esculetin, MP Biomedicals

CAS: 120-08-1 Molecular Formula: C11H10O4 Molecular Weight (g/mol): 206.20 MDL Number: MFCD00006871 InChI Key: GUAFOGOEJLSQBT-UHFFFAOYSA-N Synonym: scoparone,6,7-dimethoxycoumarin,6,7-dimethylesculetin,escoparone,scoparon,aesculetin dimethyl ether,esculetin dimethyl ether,6,7-dimethoxy-2-benzopyrone,scopoletin methyl ether,6,7-dimethoxybenzopyran-2-one PubChem CID: 8417 ChEBI: CHEBI:9055 IUPAC Name: 6,7-dimethoxy-2H-chromen-2-one SMILES: COC1=C(OC)C=C2C=CC(=O)OC2=C1

α-Fluorocinnamic Acid 98%, Thermo Scientific™

CAS: 350-90-3 Molecular Formula: C9H7FO2 Molecular Weight (g/mol): 166.151 InChI Key: QONCEXMULRJPPY-VURMDHGXSA-N Synonym: alpha-fluorocinnamic acid,.alpha.-fluorocinnamic acid,cinnamic acid, alpha-fluoro,z-alpha-fluorocinnamic acid,2-propenoic acid, 2-fluoro-3-phenyl,z-2-fluoro-3-phenylacrylic acid,2-fluoro-3-phenyl-2-propenoic acid,2z-2-fluoro-3-phenylprop-2-enoic acid,2-fluoro-3-phenylacrylic acid,cinnamic acid, .alpha.-fluoro PubChem CID: 1550911 IUPAC Name: (Z)-2-fluoro-3-phenylprop-2-enoic acid SMILES: C1=CC=C(C=C1)C=C(C(=O)O)F

Anhydrochlortetracycline hydrochloride, can be used as secondary standard, Thermo Scientific™

CAS: 65490-24-6 Molecular Formula: C22H22Cl2N2O7 Molecular Weight (g/mol): 497.325 MDL Number: MFCD00143616 InChI Key: ISGAAFMBTIWTEU-DTTSPEASSA-N Synonym: anhydrochlortetracycline hydrochloride,anhydro chlortetracycline hydrochloride,anhydro chlortetracycline,anhydroaureomycin hydrochloride,anhydrochlortetracyline hydrochloride,2z,4s,4as,12as-2-amino hydroxy methylidene-7-chloro-4-dimethylamino-10,11,12a-trihydroxy-6-methyl-4a,5-dihydro-4h-tetracene-1,3,12-trione hydrochloride,4s,12as,4as-4-dimethylamino-7-chloro-3,10,11,12a-tetrahydroxy-6-methyl-1,1 2-dioxo-4,5,12a,4a-tetrahydronaphthacene-2-carboxamide, chloride,4s,4as,12ar-7-chloro-4-dimethylamino-1,10,11,12a-tetrahydroxy-6-methyl-3,12-dioxo-3,4,4a,5,12,12a-hexahydrotetracene-2-carboxamide-hydrogen chloride 1/1,4s,4as,12as-7-chloro-4-dimethylamino-1,4,4a,5,12,12a-hexahydro-3,10,11,12a-tetrahydroxy-6-methyl-1,12-dioxo-2-naphthacenecarboxamide hydrochloride,4s,4as,12as-7-chloro-4-dimethylamino-3,10,11,12a-tetrahydroxy-6-methyl-1,12-dioxo-4a,5-dihydro-4h-tetracene-2-carboxamide hydrochloride PubChem CID: 54710411 IUPAC Name: (4S,4aS,12aR)-7-chloro-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-6-methyl-3,12-dioxo-4a,5-dihydro-4H-tetracene-2-carboxamide;hydrochloride SMILES: CC1=C2CC3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C(C=CC(=C14)Cl)O)O)O)O)C(=O)N)N(C)C.Cl

3-Cyanocoumarin, 97%, Thermo Scientific™

CAS: 15119-34-3 Molecular Formula: C10H5NO2 Molecular Weight (g/mol): 171.16 MDL Number: MFCD00115699 InChI Key: QKJALQPLNMEDAV-UHFFFAOYSA-N Synonym: 3-cyanocoumarin,2-oxo-2h-chromene-3-carbonitrile,coumarin-3-carbonitrile,2h-1-benzopyran-3-carbonitrile, 2-oxo,2-oxo-2h-1-benzopyran-3-carbonitrile,coumarin, 3-cyano-7ci,8ci,3-cyano-coumarin,pubchem8675,acmc-1cfdq PubChem CID: 203763 IUPAC Name: 2-oxochromene-3-carbonitrile SMILES: O=C1OC2=CC=CC=C2C=C1C#N

MP Biomedicals, Inc DL-3-(α-Acetonylbenzyl)-4-hydroxycoumarin, MP Biomedicals

CAS: 81-81-2 Molecular Formula: C19H16O4 Molecular Weight (g/mol): 308.333 InChI Key: PJVWKTKQMONHTI-UHFFFAOYSA-N Synonym: warfarin,coumadin,coumafene,prothromadin,coumafen,coumarins,zoocoumarin,coumefene,panwarfin,warfarine PubChem CID: 54678486 ChEBI: CHEBI:87732 IUPAC Name: 4-hydroxy-3-(3-oxo-1-phenylbutyl)chromen-2-one SMILES: CC(=O)CC(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O

7-[(Chlorocarbonyl)methoxy]-4-methylcoumarin 98%, Thermo Scientific™

CAS: 91454-65-8 Molecular Formula: C12H9ClO4 Molecular Weight (g/mol): 252.65 InChI Key: CTSWCAAFHPVFFO-UHFFFAOYSA-N Synonym: 7-chlorocarbonylmethoxy-4-methylcoumarin,7-chlorocarbonyl methoxy-4-methylcoumarin,7-ccmmc,2-4-methyl-2-oxochromen-7-yloxy acetyl chloride,2-4-methyl-2-oxochromen-7-yl oxy acetyl chloride,7-ccm-4-mc,acetyl chloride, 4-methyl-2-oxo-2h-1-benzopyran-7-yl oxy-, s,7-chlorocar-bonyl methoxy-4-methylcoumarin,2-4-methyl-2-oxochromen-7-yl oxyacetyl chloride,4-methyl-2-oxobenzo b pyran-7-yloxy acetyl chloride PubChem CID: 124645 IUPAC Name: 2-(4-methyl-2-oxochromen-7-yl)oxyacetyl chloride SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)Cl

DL-3-(α-Acetonyl-4'-chlorobenzyl)-4-hydroxycoumarin 98%, Thermo Scientific™

CAS: 81-82-3 Molecular Formula: C19H15ClO4 Molecular Weight (g/mol): 342.78 MDL Number: MFCD00012094 InChI Key: HENZOLWOIZODCT-UHFFFAOYNA-N Synonym: coumachlor,ratilan,tomorin,cumachlor,coumachlore,cumachloor,kumachlor,geigy rodenticide exp. 332,kumachlor czech,cumachloor dutch PubChem CID: 54682651 ChEBI: CHEBI:80741 IUPAC Name: 3-[1-(4-chlorophenyl)-3-oxobutyl]-2-hydroxy-4H-chromen-4-one SMILES: CC(=O)CC(C1=CC=C(Cl)C=C1)C1=C(O)OC2=CC=CC=C2C1=O

Pentafluorophenyl 2-morpholinobenzoate, 97%, Thermo Scientific™

CAS: 906352-59-8 Molecular Formula: C17H12F5NO3 Molecular Weight (g/mol): 373.28 MDL Number: MFCD09025824 InChI Key: SMSUNMKSTOOWTF-UHFFFAOYSA-N Synonym: pentafluorophenyl 2-morpholinobenzoate,pentafluorophenyl 2-morpholin-4-ylbenzoate,pentafluorophenyl 2-morpholin-4-yl benzoate,2,3,4,5,6-pentafluorophenyl 2-morpholin-4-yl benzoate,perfluorophenyl 2-morpholinobenzoate,2,3,4,5,6-pentakis fluoranyl phenyl 2-morpholin-4-ylbenzoate,2-4-morpholinyl benzoic acid 2,3,4,5,6-pentafluorophenyl ester PubChem CID: 24229476 SMILES: FC1=C(F)C(F)=C(OC(=O)C2=CC=CC=C2N2CCOCC2)C(F)=C1F

4'-Chlorochalcone, 98+%, Thermo Scientific™

7-Hydroxyflavanone, 99%

CAS: 6515-36-2 Molecular Formula: C15H12O3 Molecular Weight (g/mol): 240.258 MDL Number: MFCD00017487 InChI Key: SWAJPHCXKPCPQZ-UHFFFAOYSA-N Synonym: 7-hydroxyflavanone,7-hydroxy-2-phenylchroman-4-one,chembl97542,7-hydroxy-2-phenyl-4-chromanone,7-hydroxy-2-phenyl-2,3-dihydro-4h-chromen-4-one,2,3-dihydro-7-hydroxy-2-phenyl-4h-1-benzopyran-4-one,4h-1-benzopyran-4-one, 2,3-dihydro-7-hydroxy-2-phenyl,7-hydroxy-flavanone,d05zpo PubChem CID: 1890 ChEBI: CHEBI:34483 IUPAC Name: 7-hydroxy-2-phenyl-2,3-dihydrochromen-4-one SMILES: C1C(OC2=C(C1=O)C=CC(=C2)O)C3=CC=CC=C3

Cinnamamide, predominantly trans, 97%

CAS: 621-79-4 Molecular Formula: C9H9NO Molecular Weight (g/mol): 147.177 MDL Number: MFCD00008033 InChI Key: APEJMQOBVMLION-VOTSOKGWSA-N Synonym: cinnamamide,trans-cinnamamide,3-phenylacrylamide,cinnamic amide,2-propenamide, 3-phenyl,3-phenylpropenamide,2-benzylideneacetamide,e-cinnamamide,ginnamic acid amide,trans-cinnamoylamine PubChem CID: 5273472 ChEBI: CHEBI:76320 IUPAC Name: (E)-3-phenylprop-2-enamide SMILES: C1=CC=C(C=C1)C=CC(=O)N

4-Methylumbelliferyl acetate, 99%, Thermo Scientific™

CAS: 5-9-2747 ChEBI: CHEBI:17763

7-Hydroxy-4'-nitroisoflavone, 98%, Thermo Scientific™

CAS: 15485-80-0 Molecular Formula: C15H9NO5 Molecular Weight (g/mol): 283.24 MDL Number: MFCD01546432 InChI Key: CEESSYSSRMOMDE-UHFFFAOYSA-N Synonym: 7-hydroxy-4'-nitroisoflavone,7-hydroxy-3-4-nitrophenyl-4h-chromen-4-one,7-hydroxy-3-4-nitrophenyl chromen-4-one,7-hydroxy-3-4-nitrophenyl-4h-1-benzopyran-4-one,7-hydroxy-4-nitroisoflavone,7-hydroxy-4/'-nitroisoflavone,7-hydroxy-4'-nitro-isoflavone 3c PubChem CID: 7454026 IUPAC Name: 7-hydroxy-3-(4-nitrophenyl)chromen-4-one SMILES: OC1=CC=C2C(=O)C(=COC2=C1)C1=CC=C(C=C1)[N+]([O-])=O

Pentafluorophenyl 4-[5-(trifluoromethyl)pyrid-2-yl]benzoate, ≥95%, Thermo Scientific™

CAS: 910036-89-4 Molecular Formula: C19H7F8NO2 Molecular Weight (g/mol): 433.257 MDL Number: MFCD09817480 InChI Key: FXVFNQGTIWSDPI-UHFFFAOYSA-N Synonym: pentafluorophenyl 4-5-trifluoromethyl pyridin-2-yl benzoate,2,3,4,5,6-pentafluorophenyl 4-5-trifluoromethyl pyridin-2-yl benzoate,pentafluorophenyl 4-5-trifluoromethyl pyrid-2-yl benzoate,2,3,4,5,6-pentakis fluoranyl phenyl 4-5-trifluoromethyl pyridin-2-yl benzoate,4-5-trifluoromethyl-2-pyridinyl benzoic acid 2,3,4,5,6-pentafluorophenyl ester PubChem CID: 24229536 IUPAC Name: (2,3,4,5,6-pentafluorophenyl) 4-[5-(trifluoromethyl)pyridin-2-yl]benzoate SMILES: C1=CC(=CC=C1C2=NC=C(C=C2)C(F)(F)F)C(=O)OC3=C(C(=C(C(=C3F)F)F)F)F

Mineral Oil NF White, Macron Fine Chemicals™

CAS: 8012-95-1 Molecular Formula: MFCD00131611 Molecular Weight (g/mol): 0.00 MDL Number: MFCD00131611 InChI Key: FFNDMZIBVDSQFI-UHFFFAOYSA-N Synonym: delphinidin chloride,delphinidin,delphinidine,delphinidol,ephdine,delfinidol chloride,unii-em6md4aehe,ccris 2518,em6md4aehe,3,5,7-trihydroxy-2-3,4,5-trihydroxyphenyl benzopyrylium chloride PubChem CID: 68245 ChEBI: CHEBI:38701 IUPAC Name: 2-(3,4,5-trihydroxyphenyl)chromenylium-3,5,7-triol;chloride SMILES: *