Phenylpropanoids and polyketides
4-Nitrocinnamaldehyde, predominantly trans, 98%
CAS: 1734-79-8 Molecular Formula: C9H7NO3 Molecular Weight (g/mol): 177.159 MDL Number: MFCD00007379 InChI Key: ALGQVMMYDWQDEC-OWOJBTEDSA-N Synonym: 4-nitrocinnamaldehyde,3-4-nitrophenyl acrylaldehyde,p-nitrocinnamaldehyde,2-propenal, 3-4-nitrophenyl,cinnamaldehyde, p-nitro,trans-4-nitrocinnamaldehyde,e-3-4-nitrophenyl acrylaldehyde,3-4-nitrophenyl-2-propenal,unii-48r8lam7yx,2e-3-4-nitrophenyl prop-2-enal PubChem CID: 5354135 IUPAC Name: (E)-3-(4-nitrophenyl)prop-2-enal SMILES: C1=CC(=CC=C1C=CC=O)[N+](=O)[O-]
o-Nitrocinnamaldehyde, 98%
CAS: 1466-88-2 Molecular Formula: C9H7NO3 Molecular Weight (g/mol): 177.16 MDL Number: MFCD00007188 InChI Key: VMSMELHEXDVEDE-HWKANZROSA-N Synonym: 2-nitrocinnamaldehyde,3-2-nitrophenyl acrylaldehyde,o-nitrocinnamaldehyde,trans-2-nitrocinnamaldehyde,2e-3-2-nitrophenyl prop-2-enal,2-propenal, 3-2-nitrophenyl,e-3-2-nitrophenyl acrylaldehyde,e-3-2-nitrophenyl prop-2-enal,3-2-nitrophenyl prop-2-enal,ccris 3775 PubChem CID: 5367122 IUPAC Name: (E)-3-(2-nitrophenyl)prop-2-enal SMILES: C1=CC=C(C(=C1)C=CC=O)[N+](=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
4-Dimethylaminocinnamaldehyde, 98%
CAS: 6203-18-5 Molecular Formula: C11H13NO Molecular Weight (g/mol): 175.231 MDL Number: MFCD00007002 InChI Key: RUKJCCIJLIMGEP-ONEGZZNKSA-N Synonym: 4-dimethylamino cinnamaldehyde,4-dimethylaminocinnamaldehyde,p-dimethylaminocinnamaldehyde,3-4-dimethylamino phenyl acrylaldehyde,4-dimethylcinnamaldehyde,p-dimethylaminocinnamic aldehyde,p-dimethylamino cinnamaldehyde,cinnamaldehyde, p-dimethylamino,unii-9rsi7wz9f0,dmaca reagent PubChem CID: 5284506 IUPAC Name: (E)-3-[4-(dimethylamino)phenyl]prop-2-enal SMILES: CN(C)C1=CC=C(C=C1)C=CC=O
4-Cyanophenyl 4-n-hexylbenzoate, 99%
CAS: 50793-85-6 Molecular Formula: C20H21NO2 Molecular Weight (g/mol): 307.39 MDL Number: MFCD00600506 InChI Key: DEUWEGPRKHPNKB-UHFFFAOYSA-N Synonym: benzoic acid, 4-hexyl-, 4-cyanophenyl ester,4-cyanophenyl 4-n-hexylbenzoate,p-cyanophenyl p-hexylbenzoate,4-cyanophenyl 4-hexylbenzoate,4-hexylbenzoic acid 4-cyanophenyl,4-n-hexylbenzoic acid 4-cyanophenyl ester PubChem CID: 170907 IUPAC Name: (4-cyanophenyl) 4-hexylbenzoate SMILES: CCCCCCC1=CC=C(C=C1)C(=O)OC1=CC=C(C=C1)C#N
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
Diphenyl phthalate, 98%
CAS: 84-62-8 Molecular Formula: C20H14O4 Molecular Weight (g/mol): 318.33 MDL Number: MFCD00003038 InChI Key: DWNAQMUDCDVSLT-UHFFFAOYSA-N Synonym: diphenyl phthalate,phenyl phthalate,phthalic acid, diphenyl ester,diphenylphthalate,1,2-benzenedicarboxylic acid, diphenyl ester,phthalic acid diphenyl ester,caswell no. 399b,unii-bu20109xhv,1,2-benzenedicarboxylic acid, 1,2-diphenyl ester,epa pesticide chemical code 017001 PubChem CID: 6778 ChEBI: CHEBI:60819 IUPAC Name: diphenyl benzene-1,2-dicarboxylate SMILES: O=C(OC1=CC=CC=C1)C1=CC=CC=C1C(=O)OC1=CC=CC=C1
Phenyl benzoate, 99%
CAS: 93-99-2 Molecular Formula: C13H10O2 Molecular Weight (g/mol): 198.22 MDL Number: MFCD00003072 InChI Key: FCJSHPDYVMKCHI-UHFFFAOYSA-N Synonym: benzoic acid phenyl ester,diphenylcarboxylate,benzoic acid, phenyl ester,benzoic acid phenyl,phenylbenzoate,unii-b8a3wvz590,phenol, benzoate,dsstox_cid_28185,dsstox_rid_82744,dsstox_gsid_48210 PubChem CID: 7169 ChEBI: CHEBI:86919 IUPAC Name: phenyl benzoate SMILES: C1=CC=C(C=C1)C(=O)OC2=CC=CC=C2
Camostat methanesulfate, 98%
CAS: 59721-29-8 Molecular Formula: C21H26N4O8S Molecular Weight (g/mol): 494.52 MDL Number: MFCD00941410 InChI Key: FSEKIHNIDBATFG-UHFFFAOYSA-N Synonym: camostat mesylate,camostat mesilate,camostat methanesulfonate,camostat monomethanesulfonate,foipan,unii-451m50a1eq,dsstox_cid_238,dsstox_rid_75452,dsstox_gsid_20238 PubChem CID: 5284360 IUPAC Name: 4-{2-[(dimethylcarbamoyl)methoxy]-2-oxoethyl}phenyl 4-[(diaminomethylidene)amino]benzoate; methanesulfonic acid SMILES: CS(O)(=O)=O.CN(C)C(=O)COC(=O)CC1=CC=C(OC(=O)C2=CC=C(C=C2)N=C(N)N)C=C1
1,3-Dibenzoyloxybenzene, 98%, Thermo Scientific Chemicals
CAS: 94-01-9 Molecular Formula: C20H14O4 Molecular Weight (g/mol): 318.33 MDL Number: MFCD00016576 InChI Key: SUQGLJRNDJRARS-UHFFFAOYSA-N Synonym: 1,3-dibenzoyloxybenzene,resorcinol dibenzoate,1,3-benzenediol, dibenzoate,1,3-phenylene dibenzoate,m-phenylene dibenzoate,resorcinol, dibenzoate,1,3-bis benzoyloxy benzene,3-benzoyloxy phenyl benzoate,1,3-benzenediol, 1,3-dibenzoate,1,3-phenylenedibenzoate PubChem CID: 66742 IUPAC Name: (3-benzoyloxyphenyl) benzoate SMILES: O=C(OC1=CC(OC(=O)C2=CC=CC=C2)=CC=C1)C1=CC=CC=C1
Acetylsalicylsalicylic acid, 97%
CAS: 530-75-6 Molecular Formula: C16H12O6 Molecular Weight (g/mol): 300.26 MDL Number: MFCD00143537 InChI Key: DDSFKIFGAPZBSR-UHFFFAOYSA-N Synonym: 2-2-acetoxybenzoyl oxy benzoic acid,acetylsalicylsalicylic acid,acesalum,acetylsalicylsalicyic acid,diplosal acetate,unii-vbe72mcp5l,2-carboxyphenyl 2-acetyloxy benzoate,diplosalsalate,ccris 1740,benzoic acid, 2-acetyloxy-, 2-carboxyphenyl ester PubChem CID: 10745 IUPAC Name: 2-(2-acetyloxybenzoyl)oxybenzoic acid SMILES: CC(=O)OC1=CC=CC=C1C(=O)OC2=CC=CC=C2C(=O)O
Phenyl salicylate, 99%
CAS: 118-55-8 Molecular Formula: C13H10O3 Molecular Weight (g/mol): 214.22 MDL Number: MFCD00002213 InChI Key: ZQBAKBUEJOMQEX-UHFFFAOYSA-N Synonym: phenyl salicylate,salol,phenol salicylate,salphenyl,musol,2-phenoxycarbonylphenol,benzoic acid, 2-hydroxy-, phenyl ester,salicylic acid, phenyl ester,2-hydroxybenzoic acid phenyl ester,phenyl-2-hydroxybenzoate PubChem CID: 8361 ChEBI: CHEBI:34918 IUPAC Name: phenyl 2-hydroxybenzoate SMILES: C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2O
3,4,9,10-Perylenetetracarboxylic dianhydride, 98%
CAS: 128-69-8 Molecular Formula: C24H8O6 Molecular Weight (g/mol): 392.32 MDL Number: MFCD00006916 InChI Key: CLYVDMAATCIVBF-UHFFFAOYSA-N Synonym: 3,4,9,10-perylenetetracarboxylic dianhydride,pigment red 224,ptcda,perylene-3,4,9,10-tetracarboxylic dianhydride,perylenetetracarboxylic anhydride,anthra 2,1,9-def:6,5,10-d'e'f' diisochromene-1,3,8,10-tetraone,perylo 3,4-cd:9,10-c'd' dipyran-1,3,8,10-tetrone,perylenetetracarboxylic acid dianhydride,3,4:9,10-perylenetetracarboxylic anhydride PubChem CID: 67191 IUPAC Name: 7,18-dioxaheptacyclo[14.6.2.2²,⁵.0³,¹².0⁴,⁹.0¹³,²³.0²⁰,²⁴]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone SMILES: O=C1OC(=O)C2=CC=C3C4=CC=C5C(=O)OC(=O)C6=CC=C(C7=CC=C1C2=C37)C4=C56
3,4-Dichloroisocoumarin, 98%
CAS: 51050-59-0 Molecular Formula: C9H4Cl2O2 Molecular Weight (g/mol): 215.03 MDL Number: MFCD00036960 InChI Key: SUGXUUGGLDCZKB-UHFFFAOYSA-N Synonym: 3,4-dichloroisocoumarin,3,4-dcl,1h-2-benzopyran-1-one,3,4-dichloro,3,4-dci,3,4 dichloroisocoumarin,3,4-dichloro-1h-isochromen-1-one,3,4-dichloro-1h-2-benzopyran-1-one,1h-2-benzopyran-1-one, 3,4-dichloro,chembl24983,3,4-dichloro-2-benzopyran-1-one PubChem CID: 1609 IUPAC Name: 3,4-dichloroisochromen-1-one SMILES: ClC1=C(Cl)C2=CC=CC=C2C(=O)O1
Naphthalene-1,4,5,8-tetracarboxylic acid dianhydride, 97%
CAS: 81-30-1 Molecular Formula: C14H4O6 Molecular Weight (g/mol): 268.18 MDL Number: MFCD00006915 InChI Key: YTVNOVQHSGMMOV-UHFFFAOYSA-N Synonym: 1,4,5,8-naphthalenetetracarboxylic dianhydride,ntcda,naphthalenetetracarboxylic dianhydride,isochromeno 6,5,4-def isochromene-1,3,6,8-tetraone,ntda,unii-l56xqd1v6y,2,7-dioxapyrene-1,3,6,8-tetrone,naphthalene-1,8:4,5-tetracarboxylic dianhydride,1,8:4,5-naphthalenetetracarboxylic dianhydride,naphthalene-1,4,5,8-tetracarboxylic dianhydride PubChem CID: 6678 SMILES: C1=CC2=C3C(=CC=C4C3=C1C(=O)OC4=O)C(=O)OC2=O