Phenylpropanoids and polyketides
4-Methoxyphenyl 4-(6-Hydroxyhexyloxy)benzoate, TCI America™
CAS: 137407-31-9 Molecular Formula: C20H24O5 Molecular Weight (g/mol): 344.41 MDL Number: MFCD00191513 InChI Key: KTTALHXKXPIECT-UHFFFAOYSA-N Synonym: 4-(6-Hydroxyhexyloxy)benzoic Acid 4-Methoxyphenyl Ester PubChem CID: 44630339 IUPAC Name: 4-methoxyphenyl 4-[(6-hydroxyhexyl)oxy]benzoate SMILES: COC1=CC=C(OC(=O)C2=CC=C(OCCCCCCO)C=C2)C=C1
4-Ethoxycinnamic Acid 98.0+%, TCI America™
CAS: 2373-79-7 Molecular Formula: C11H12O3 Molecular Weight (g/mol): 192.214 MDL Number: MFCD11040581 InChI Key: DZLOUWYGNATKKZ-VMPITWQZSA-N Synonym: 4-ethoxycinnamic acid,3-4-ethoxyphenyl acrylic acid,2e-3-4-ethoxyphenyl acrylic acid,2e-3-4-ethoxyphenyl prop-2-enoic acid,e-3-4-ethoxyphenyl acrylic acid,e-3-4-ethoxyphenyl prop-2-enoic acid,4-ethoxyphenylacrylic acid,p-ethoxycinnamic acid,ethoxyphenylacrylicacid,pubchem8239 PubChem CID: 704218 IUPAC Name: (E)-3-(4-ethoxyphenyl)prop-2-enoic acid SMILES: CCOC1=CC=C(C=C1)C=CC(=O)O
4-Octylphenyl Salicylate 95.0+%, TCI America™
CAS: 2512-56-3 Molecular Formula: C21H26O3 Molecular Weight (g/mol): 326.44 MDL Number: MFCD00045760 InChI Key: VNFXPOAMRORRJJ-UHFFFAOYSA-N Synonym: Salicylic Acid 4-Octylphenyl Ester PubChem CID: 520185 IUPAC Name: 4-octylphenyl 2-hydroxybenzoate SMILES: CCCCCCCCC1=CC=C(OC(=O)C2=CC=CC=C2O)C=C1
Chrysophenine, TCI America™
CAS: 2870-32-8 Molecular Formula: C30H26N4Na2O8S2 Molecular Weight (g/mol): 680.66 MDL Number: MFCD00007488 InChI Key: YQMJDPHTMKUEHG-RPKDOIGLSA-L Synonym: chrysophenine g,chrysophenine j,chrysophenine y,aurophenine o,chrysophenine gp,chrysophenine ns,direct yellow c,benzo yellow lg,erie yellow y,chrysophenine esp PubChem CID: 54603156 IUPAC Name: disodium 5-[2-(4-ethoxyphenyl)diazen-1-yl]-2-[(1Z)-2-{4-[2-(4-ethoxyphenyl)diazen-1-yl]-2-sulfonatophenyl}ethenyl]benzene-1-sulfonate SMILES: [Na+].[Na+].CCOC1=CC=C(C=C1)N=NC1=CC=C(\C=C/C2=CC=C(C=C2S([O-])(=O)=O)N=NC2=CC=C(OCC)C=C2)C(=C1)S([O-])(=O)=O
Apigenin, Tocris Bioscience™
CAS: 520-36-5 Molecular Formula: C15H10O5 Molecular Weight (g/mol): 270.24 MDL Number: MFCD00006831 InChI Key: KZNIFHPLKGYRTM-UHFFFAOYSA-N Synonym: apigenin,5,7-dihydroxy-2-4-hydroxyphenyl-4h-chromen-4-one,chamomile,spigenin,versulin,apigenol,4',5,7-trihydroxyflavone,apigenine,c.i. natural yellow 1,5,7,4'-trihydroxyflavone PubChem CID: 5280443 ChEBI: CHEBI:18388 IUPAC Name: 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one SMILES: OC1=CC=C(C=C1)C1=CC(=O)C2=C(O)C=C(O)C=C2O1
Clocinnamox mesylate, Tocris Bioscience™
CAS: 117332-69-1 Molecular Formula: C30H33ClN2O7S Molecular Weight (g/mol): 601.111 InChI Key: XAXNKAGAUFXFDO-TYMYTQEGSA-N Synonym: clocinnamox mesylate,14?-p-chlorocinnamoylamino-7,8-dihydro-n-cyclopropylmethylmorphinone mesylate PubChem CID: 133655490 IUPAC Name: (E)-N-[(4S,4aR,7aS,12bS)-3-(cyclopropylmethyl)-9-hydroxy-7-oxo-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-4a-yl]-3-(4-chlorophenyl)prop-2-enamide;methanesulfonic acid SMILES: CS(=O)(=O)O.C1CC1CN2CCC34C5C(=O)CCC3(C2CC6=C4C(=C(C=C6)O)O5)NC(=O)C=CC7=CC=C(C=C7)Cl
(S)-(+)-Ibuprofen, Tocris Bioscience™
CAS: 51146-56-6 Molecular Formula: C13H18O2 Molecular Weight (g/mol): 206.285 InChI Key: HEFNNWSXXWATRW-JTQLQIEISA-N Synonym: s-+-ibuprofen,dexibuprofen,s +-ibuprofen,s-2-4-isobutylphenyl propanoic acid,s-ibuprofen,d-ibuproten,s-+-2-4-isobutylphenyl propionic acid,s-+-4-isobutyl-alpha-methylphenylacetic acid,+-s-p-isobutylhydratropic acid,seractil PubChem CID: 39912 ChEBI: CHEBI:43415 IUPAC Name: (2S)-2-[4-(2-methylpropyl)phenyl]propanoic acid SMILES: CC(C)CC1=CC=C(C=C1)C(C)C(=O)O
A 350619 hydrochloride, Tocris Bioscience™
CAS: 1217201-17-6 Molecular Formula: C21H26Cl2N2OS Molecular Weight (g/mol): 425.412 InChI Key: PDVBHWZPRQFKJS-KYIGKLDSSA-N Synonym: a 350619 hydrochloride,3-2-4-chlorophenyl thiophenyl-n-4-dimethylamino butyl-2-propenamide hydrochloride,3-2-4-chlorophenyl thiophenyl-n-4-dimethylamino butyl-2-propenamidehcl PubChem CID: 56924282 IUPAC Name: (E)-3-[2-(4-chlorophenyl)sulfanylphenyl]-N-[4-(dimethylamino)butyl]prop-2-enamide;hydrochloride SMILES: CN(C)CCCCNC(=O)C=CC1=CC=CC=C1SC2=CC=C(C=C2)Cl.Cl
FFN 511, Tocris Bioscience™
CAS: 1004548-96-2 Molecular Formula: C19H21F3N2O4 Molecular Weight (g/mol): 398.382 InChI Key: XHUSAIWAUAMZRG-UHFFFAOYSA-N Synonym: ffn511 tfa salt PubChem CID: 91885442 SMILES: C1CC2=C3C(=C4C(=C2)C(=CC(=O)O4)CCN)CCCN3C1.C(=O)(C(F)(F)F)O
Zearalenone, Tocris Bioscience™
CAS: 17924-92-4 Molecular Formula: C18H22O5 Molecular Weight (g/mol): 318.369 InChI Key: MBMQEIFVQACCCH-QBODLPLBSA-N Synonym: zearalenone,--zearalenone,trans-zearalenone,f-2 toxin,mycotoxin f2,s---zearalenone,zenone,s-zearalenone,toxin f2,10s-zearalenone PubChem CID: 5281576 ChEBI: CHEBI:10106 IUPAC Name: (2E,11S)-15,17-dihydroxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),2,15,17-tetraene-7,13-dione SMILES: CC1CCCC(=O)CCCC=CC2=CC(=CC(=C2C(=O)O1)O)O
AG 825, Tocris Bioscience™
CAS: 149092-50-2 Molecular Formula: C19H15N3O3S2 Molecular Weight (g/mol): 397.47 MDL Number: MFCD01074971 InChI Key: KXDONFLNGBQLTN-UHFFFAOYSA-N Synonym: tyrphostin ag 825,tyrphostin c15,4-hydroxy-3-methoxy-5-benzothiazolylthiomethyl benzylidenecyanoacetamide,5-benzothiazol-2-yl thiomethyl-4-hydroxy-3-methoxybenzylidenecyanoacetamide,2e-3-3-1,3-benzothiazol-2-ylsulfanyl methyl-4-hydroxy-5-methoxyphenyl-2-cyanoprop-2-enamide,tocris-1555,biomolki_000008,biomolki2_000018,bmk1-b8,tyrphostin ag PubChem CID: 6091659 ChEBI: CHEBI:75405 IUPAC Name: 3-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-hydroxy-5-methoxyphenyl}-2-cyanoprop-2-enamide SMILES: COC1=CC(C=C(C#N)C(N)=O)=CC(CSC2=NC3=CC=CC=C3S2)=C1O
Cinanserin hydrochloride, Tocris Bioscience™
CAS: 54-84-2 Molecular Formula: C20H25ClN2OS Molecular Weight (g/mol): 376.943 InChI Key: LXGJPDKYMJJWRB-IERUDJENSA-N Synonym: cinanserin hydrochloride,cinnanserin,maptc,cinanserin hcl,unii-f65z32ki62,cinanserin hydrochloride usan,2'-3-dimethylamino propyl thio cinnamanilide hydrochloride,2'-3-dimethylamino propyl thio cinnamanilide monohydrochloride,2-propenamide, n-2-3-dimethylamino propyl thio phenyl-3-phenyl-, monohydrochloride PubChem CID: 6433141 IUPAC Name: (E)-N-[2-[3-(dimethylamino)propylsulfanyl]phenyl]-3-phenylprop-2-enamide;hydrochloride SMILES: CN(C)CCCSC1=CC=CC=C1NC(=O)C=CC2=CC=CC=C2.Cl
AG 556, Tocris Bioscience™
CAS: 133550-41-1 Molecular Formula: C20H20N2O3 Molecular Weight (g/mol): 336.391 InChI Key: GWCNJMUSWLTSCW-SFQUDFHCSA-N Synonym: tyrphostin b56,e-2-cyano-3-3,4-dihydroxyphenyl-n-4-phenylbutyl prop-2-enamide,2e-2-cyano-3-3,4-dihydroxyphenyl-n-4-phenylbutyl prop-2-enamide,tyrphostin ag 556,tyrphostin ag556,tyrphostin ag-556,tocris-0616,tyrphostin deriv. 56,2-cyano-3-3,4-dihydroxyphenyl-n-4-phenylbutyl acrylamide,alpha-cyano-3,4-dihydroxy-n-4-phenylbutyl cinnamide PubChem CID: 5328775 IUPAC Name: (E)-2-cyano-3-(3,4-dihydroxyphenyl)-N-(4-phenylbutyl)prop-2-enamide SMILES: C1=CC=C(C=C1)CCCCNC(=O)C(=CC2=CC(=C(C=C2)O)O)C#N
Sigma Aldrich 5-Bromoindoxyl acetate
MilliporeSigma Sigma Organics products encompass a wide range of quality reagents, solvents, catalysts, and building blocks for organic synthesis. From benchtop discovery to process development and scale-up, Sigma Organics solutions are built to meet the needs of synthetic chemists.
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Sigma Aldrich [1-(aminomethyl)cyclopropyl]methanol
MilliporeSigma Sigma Organics products encompass a wide range of quality reagents, solvents, catalysts, and building blocks for organic synthesis. From benchtop discovery to process development and scale-up, Sigma Organics solutions are built to meet the needs of synthetic chemists.