Phenylpropanoids and polyketides
Pentafluorophenyl 2-(morpholinosulfonyl)benzoate, 97%, Thermo Scientific™
CAS: 950603-27-7 Molecular Formula: C17H12F5NO5S Molecular Weight (g/mol): 437.34 MDL Number: MFCD09879986 InChI Key: FDXYCKHOIXBDOA-UHFFFAOYSA-N Synonym: pentafluorophenyl 2-morpholinosulfonyl benzoate,pentafluorophenyl 2-morpholine-4-sulfonyl benzoate,2,3,4,5,6-pentafluorophenyl 2-morpholine-4-sulfonyl benzoate,pentafluorophenyl 2-morpholin-4-ylsulphonyl benzoate,2,3,4,5,6-pentafluorophenyl 2-morpholinosulfonylbenzoate,2,3,4,5,6-pentafluorophenyl 2-4-morpholinylsulfonyl benzoate,2,3,4,5,6-pentakis fluoranyl phenyl 2-morpholin-4-ylsulfonylbenzoate,2-4-morpholinylsulfonyl benzoic acid 2,3,4,5,6-pentafluorophenyl ester PubChem CID: 24229773 IUPAC Name: (2,3,4,5,6-pentafluorophenyl) 2-morpholin-4-ylsulfonylbenzoate SMILES: FC1=C(F)C(F)=C(OC(=O)C2=CC=CC=C2S(=O)(=O)N2CCOCC2)C(F)=C1F
Pentafluorophenyl 3-(1-methyl-1H-pyrazol-3-yl)benzoate, 97%, Thermo Scientific™
CAS: 910037-11-5 Molecular Formula: C17H9F5N2O2 Molecular Weight (g/mol): 368.263 MDL Number: MFCD09065010 InChI Key: LGHVUZDAZTZCHC-UHFFFAOYSA-N Synonym: pentafluorophenyl 3-1-methyl-1h-pyrazol-3-yl benzoate,2,3,4,5,6-pentafluorophenyl 3-1-methylpyrazol-3-yl benzoate,pentafluorophenyl 3-1-methylpyrazol-3-yl benzoate,2,3,4,5,6-pentakis fluoranyl phenyl 3-1-methylpyrazol-3-yl benzoate,3-1-methyl-3-pyrazolyl benzoic acid 2,3,4,5,6-pentafluorophenyl ester PubChem CID: 24229633 IUPAC Name: (2,3,4,5,6-pentafluorophenyl) 3-(1-methylpyrazol-3-yl)benzoate SMILES: CN1C=CC(=N1)C2=CC(=CC=C2)C(=O)OC3=C(C(=C(C(=C3F)F)F)F)F
4-Hydroxyphenyl benzoate, 98%
CAS: 2444-19-1 Molecular Formula: C13H10O3 Molecular Weight (g/mol): 214.22 MDL Number: MFCD00053304 InChI Key: JFAXJRJMFOACBO-UHFFFAOYSA-N Synonym: hydroquinone monobenzoate,p-hydroxyphenyl benzoate,unii-zcy7o225cp,4-benzoyloxyphenol,1,4-diphenol, 1-benzoate,benzoic acid 4-hydroxyphenyl ester,4-hydroxyphenyl benzoate,zcy7o225cp,4-hydroxyphenylbenzoate,4-hydroxyphenylbenzoat PubChem CID: 75549 IUPAC Name: (4-hydroxyphenyl) benzoate SMILES: OC1=CC=C(OC(=O)C2=CC=CC=C2)C=C1
4-Hydroxyphenyl benzoate, 98%
CAS: 2444-19-1 Molecular Formula: C13H10O3 Molecular Weight (g/mol): 214.22 MDL Number: MFCD00053304 InChI Key: JFAXJRJMFOACBO-UHFFFAOYSA-N Synonym: hydroquinone monobenzoate,p-hydroxyphenyl benzoate,unii-zcy7o225cp,4-benzoyloxyphenol,1,4-diphenol, 1-benzoate,benzoic acid 4-hydroxyphenyl ester,4-hydroxyphenyl benzoate,zcy7o225cp,4-hydroxyphenylbenzoate,4-hydroxyphenylbenzoat PubChem CID: 75549 IUPAC Name: (4-hydroxyphenyl) benzoate SMILES: OC1=CC=C(OC(=O)C2=CC=CC=C2)C=C1
Pentafluorophenyl 4-(1-methyl-1H-pyrazol-3-yl)benzoate, 97%, Thermo Scientific™
CAS: 915707-42-5 Molecular Formula: C17H9F5N2O2 Molecular Weight (g/mol): 368.26 MDL Number: MFCD09702352 InChI Key: LGHZGIHYFYLEAC-UHFFFAOYSA-N Synonym: pentafluorophenyl 4-1-methyl-1h-pyrazol-3-yl benzoate,2,3,4,5,6-pentafluorophenyl 4-1-methylpyrazol-3-yl benzoate,pentafluorophenyl 4-1-methylpyrazol-3-yl benzoate,perfluorophenyl 4-1-methyl-1h-pyrazol-3-yl benzoate,2,3,4,5,6-pentakis fluoranyl phenyl 4-1-methylpyrazol-3-yl benzoate,4-1-methyl-3-pyrazolyl benzoic acid 2,3,4,5,6-pentafluorophenyl ester PubChem CID: 24229473 SMILES: CN1C=CC(=N1)C1=CC=C(C=C1)C(=O)OC1=C(F)C(F)=C(F)C(F)=C1F
2-Hydroxychalcone, 98+%
CAS: 644-78-0 Molecular Formula: C15H12O2 Molecular Weight (g/mol): 224.259 MDL Number: MFCD00016449 InChI Key: UDOOPSJCRMKSGL-ZHACJKMWSA-N Synonym: 2-hydroxychalcone,2e-3-2-hydroxyphenyl-1-phenylprop-2-en-1-one,2-propen-1-one, 3-2-hydroxyphenyl-1-phenyl,2-2-hydroxybenzal acetophenone,e-3-2-hydroxyphenyl-1-phenylprop-2-en-1-one,3-2-hydroxyphenyl-1-phenylprop-2-en-1-one,3-2-hydroxyphenyl-1-phenyl-2-propen-1-one,e-3-2-hydroxyphenyl-1-phenyl-prop-2-en-1-one,2-hydroxybenzylidene acetophenone,chalcone, 1 PubChem CID: 5367146 IUPAC Name: (E)-3-(2-hydroxyphenyl)-1-phenylprop-2-en-1-one SMILES: C1=CC=C(C=C1)C(=O)C=CC2=CC=CC=C2O
4,4'-Diaminostilbene-2,2'-disulfonic acid, 95%
CAS: 81-11-8 Molecular Formula: C14H14N2O6S2 Molecular Weight (g/mol): 370.4 MDL Number: MFCD00024946 InChI Key: REJHVSOVQBJEBF-OWOJBTEDSA-N Synonym: amsonic acid,flavonic acid,tinopal bhs,amsonsaeure,dasd,4,4'-diaminostilbene-2,2'-disulfonic acid,unii-h68088wvjl,2,2'-disulfo-4,4'-stilbenediamine,diaminostilbenedisulfonic acid,4,4'-diaminostilbene-2,2'-disulphonic acid PubChem CID: 5284378 IUPAC Name: 5-amino-2-[(E)-2-(4-amino-2-sulfophenyl)ethenyl]benzenesulfonic acid SMILES: C1=CC(=C(C=C1N)S(=O)(=O)O)C=CC2=C(C=C(C=C2)N)S(=O)(=O)O
alpha-Methylcinnamaldehyde, predominantly (E), 97%
CAS: 101-39-3 Molecular Formula: C10H10O Molecular Weight (g/mol): 146.19 MDL Number: MFCD00006976 InChI Key: VLUMOWNVWOXZAU-CLFYSBASSA-N Synonym: alpha-methylcinnamaldehyde,a-methylcinnamaldehyde,2-propenal, 2-methyl-3-phenyl,2-methyl-3-phenylprop-2-enal,e-2-methyl-3-phenylpropenal,2-methyl-3-phenylacrylaldehyde,e-2-methyl-3-phenylacrylaldehyde,2-methyl-3-phenyl-2-propenal,2-methyl-3-phenylacrolein,alpha-methyl-trans-cinnamaldehyde PubChem CID: 5372813 SMILES: C\C(C=O)=C\C1=CC=CC=C1
Cinnamamide, 97%, predominantly trans
CAS: 621-79-4 Molecular Formula: C9H9NO Molecular Weight (g/mol): 147.18 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-Phenylcinnamic acid, 98%
CAS: 13026-23-8 Molecular Formula: C15H12O2 Molecular Weight (g/mol): 224.26 MDL Number: MFCD00014010 InChI Key: DMJDEZUEYXVYNO-FLIBITNWSA-N Synonym: 4-phenylcinnamic acid,3-1,1'-biphenyl-4-yl acrylic acid,p-phenylcinnamic acid,e-3-1,1'-biphenyl-4-yl acrylic acid,2e-3-4-phenylphenyl prop-2-enoic acid,2e-3-biphenyl-4-ylacrylic acid,3-4-phenylphenyl prop-2-enoic acid,2e-3-1,1'-biphenyl-4-yl prop-2-enoic acid,trans-4-phenylcinnamic acid,biphenylylacrylicacid PubChem CID: 5842785 IUPAC Name: (E)-3-(4-phenylphenyl)prop-2-enoic acid SMILES: OC(=O)\C=C/C1=CC=C(C=C1)C1=CC=CC=C1
Paraffin, NF, Spectrum™ Chemical
CAS: 8002-74-2 Molecular Formula: C21H27NO3 Molecular Weight (g/mol): 341.45 InChI Key: JWHAUXFOSRPERK-UHFFFAOYNA-N IUPAC Name: 1-{2-[2-hydroxy-3-(propylamino)propoxy]phenyl}-3-phenylpropan-1-one SMILES: CCCNCC(O)COC1=CC=CC=C1C(=O)CCC1=CC=CC=C1
Neohesperidin, 97.8%, MP Biomedicals™
CAS: 13241-33-3 Molecular Formula: C28H34O15 Molecular Weight (g/mol): 610.565 MDL Number: MFCD16661259 InChI Key: ARGKVCXINMKCAZ-CIDMPNHLSA-N Synonym: hesperetin-7-o-neohesperidoside PubChem CID: 134129340 IUPAC Name: (2S)-7-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one SMILES: CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)OC)O)O)CO)O)O)O)O)O
4-Chlorocinnamic acid, predominantly trans, 99%
CAS: 1615-02-7 Molecular Formula: C9H7ClO2 Molecular Weight (g/mol): 182.60 MDL Number: MFCD00004396 InChI Key: GXLIFJYFGMHYDY-ZZXKWVIFSA-N Synonym: 4-chlorocinnamic acid,p-chlorocinnamic acid,3-4-chlorophenyl acrylic acid,trans-4-chlorocinnamic acid,2e-3-4-chlorophenyl prop-2-enoic acid,e-p-chlorocinnamic acid,cinnamic acid, p-chloro,trans-p-chlorocinnamic acid,2-propenoic acid, 3-4-chlorophenyl,3-p-chlorophenyl acrylic acid PubChem CID: 637797 ChEBI: CHEBI:61116 IUPAC Name: (E)-3-(4-chlorophenyl)prop-2-enoic acid SMILES: OC(=O)\C=C\C1=CC=C(Cl)C=C1