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Cinnamic acids and derivatives

Description:

Organic aromatic compounds containing a benzene and a carboxylic acid group (or a derivative thereof) forming 3-phenylprop-2-enoic acid.
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  1. Tranilast Sodium
      Grade & Purity: 
    • ≥98%
    Cas Number: 104931-56-8        Compound CID:  23669590
    Formula:  C18H16NNaO5        Molecular Weight: 349.3
    IUPAC Name:  sodium;2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]benzoate
    SMILES:  COC1=C(C=C(C=C1)C=CC(=O)NC2=CC=CC=C2C(=O)[O-])OC.[Na+]
    InChIKey: KZGHWWBBHZLTTA-VRTOBVRTSA-M
    InChI:  InChI=1S/C18H17NO5.Na/c1-23-15-9-7-12(11-16(15)24-2)8-10-17(20)19-14-6-4-3-5-13(14)18(21)22;/h3-11H,1-2H3,(H,19,20)(H,21,22);/q;+1/p-1/b10-8+;
  2. (E)-3-(3,4,5-Trihydroxyphenyl)acrylic acid
      Grade & Purity: 
    • ≥95%
    Cas Number: 6093-59-0        EC Number: 836-123-9        Compound CID:  5382849
    IUPAC Name:  (E)-3-(3,4,5-trihydroxyphenyl)prop-2-enoic acid
    SMILES:  C1=C(C=C(C(=C1O)O)O)C=CC(=O)O
    InChIKey: ACEAELOMUCBPJP-OWOJBTEDSA-N
    InChI:  InChI=1S/C9H8O5/c10-6-3-5(1-2-8(12)13)4-7(11)9(6)14/h1-4,10-11,14H,(H,12,13)/b2-1+
  3. (E)-methyl 3-(o-tolyl)acrylate
      Grade & Purity: 
    • ≥95%
    Cas Number: 130451-86-4        Compound CID:  10176349
    Formula:  C11H12O2        Molecular Weight: 176.21
    IUPAC Name:  methyl (E)-3-(2-methylphenyl)prop-2-enoate
    SMILES:  CC1=CC=CC=C1C=CC(=O)OC
    InChIKey: FVSMIMXZNUZTOE-BQYQJAHWSA-N
    InChI:  InChI=1S/C11H12O2/c1-9-5-3-4-6-10(9)7-8-11(12)13-2/h3-8H,1-2H3/b8-7+
  4. ethyl 3-(2-fluorophenyl)acrylate
      Grade & Purity: 
    • ≥98%
    Cas Number: 348-13-0        Compound CID:  5373049
    IUPAC Name:  ethyl (E)-3-(2-fluorophenyl)prop-2-enoate
    SMILES:  CCOC(=O)C=CC1=CC=CC=C1F
    InChIKey: YOIVHDQJCFLRRB-BQYQJAHWSA-N
    InChI:  InChI=1S/C11H11FO2/c1-2-14-11(13)8-7-9-5-3-4-6-10(9)12/h3-8H,2H2,1H3/b8-7+
  5. Sibiricose A1
      Grade & Purity: 
    • ≥97%
    Cas Number: 139726-40-2        Compound CID:  6326016
    IUPAC Name:  [(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3,5-dimethoxyshow more
    SMILES:  COC1=CC(=CC(=C1O)OC)C=CC(=O)OCC2C(C(C(C(O2)OC3(C(C(C(O3)CO)O)O)CO)O)O)O
    InChIKey: DJBWDHVUJCXYBH-IBVGEFGBSA-N
    InChI:  InChI=1S/C23H32O15/c1-33-11-5-10(6-12(34-2)16(11)27)3-4-15(26)35-8-14-17(28)19(30)20(31)22(36-14)38-23(9-25)21(32)18(29)13(7-24)37-23/h3-6,13-14,17-22show more
  6. N1,N5,N10-Tri-p-coumaroylspermidine
      Grade & Purity: 
    • ≥98%
    Cas Number: 131086-78-7
    Formula:  C34H37N3O6        Molecular Weight: 583.67
    SMILES:  C1=CC(=CC=C1C=CC(=O)NCCCCN(CCCNC(=O)C=CC2=CC=C(C=C2)O)C(=O)C=CC3=CC=C(C=C3)O)O
    InChIKey: PFDVWJCSCYDRMZ-AUCPOXKISA-N
    InChI:  InChI=1S/C34H37N3O6/c38-29-13-4-26(5-14-29)10-19-32(41)35-22-1-2-24-37(34(43)21-12-28-8-17-31(40)18-9-28)25-3-23-36-33(42)20-11-27-6-15-30(39)16-7-27/show more
  7. Methyl 2-(2-nitrobenzylidene)acetoacetate
      Grade & Purity: 
    • ≥99%
    Cas Number: 39562-27-1        Compound CID:  2259865
    Formula:  C12H11NO5        Molecular Weight: 249.22
    IUPAC Name:  methyl (2E)-2-[(2-nitrophenyl)methylidene]-3-oxobutanoate
    SMILES:  CC(=O)C(=CC1=CC=CC=C1[N+](=O)[O-])C(=O)OC
    InChIKey: APKKCRAKPMSAEI-JXMROGBWSA-N
    InChI:  InChI=1S/C12H11NO5/c1-8(14)10(12(15)18-2)7-9-5-3-4-6-11(9)13(16)17/h3-7H,1-2H3/b10-7+
  8. Ethyl 2-(3-nitrobenzylidene)acetoacetate
      Grade & Purity: 
    • ≥97%
    Cas Number: 39562-16-8        EC Number: 404-490-0, 609-718-4        Compound CID:  768581
    IUPAC Name:  ethyl (2E)-2-[(3-nitrophenyl)methylidene]-3-oxobutanoate
    SMILES:  CCOC(=O)C(=CC1=CC(=CC=C1)[N+](=O)[O-])C(=O)C
    InChIKey: YOPMSDPIOQUWFE-XYOKQWHBSA-N
    InChI:  InChI=1S/C13H13NO5/c1-3-19-13(16)12(9(2)15)8-10-5-4-6-11(7-10)14(17)18/h4-8H,3H2,1-2H3/b12-8+
  9. Ethyl 3-(4-hydroxyphenyl)acrylate
      Grade & Purity: 
    • ≥95%
    Cas Number: 2979-06-8        Compound CID:  676946
    Formula:  C11H12O3        Molecular Weight: 192.21
    IUPAC Name:  ethyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
    SMILES:  CCOC(=O)C=CC1=CC=C(C=C1)O
    InChIKey: ZOQCEVXVQCPESC-VMPITWQZSA-N
    InChI:  InChI=1S/C11H12O3/c1-2-14-11(13)8-5-9-3-6-10(12)7-4-9/h3-8,12H,2H2,1H3/b8-5+
  10. Benzyl ferulate
      Grade & Purity: 
    • ≥98%
    Cas Number: 132335-97-8        Compound CID:  7766335
    IUPAC Name:  benzyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
    SMILES:  COC1=C(C=CC(=C1)C=CC(=O)OCC2=CC=CC=C2)O
    InChIKey: DZAPHTCUSDTZAT-CSKARUKUSA-N
    InChI:  InChI=1S/C17H16O4/c1-20-16-11-13(7-9-15(16)18)8-10-17(19)21-12-14-5-3-2-4-6-14/h2-11,18H,12H2,1H3/b10-8+
  11. (s)-(+)-2-methylbutyl p-[(p-methoxybenzylidene)amino]cinnamate
      Grade & Purity: 
    • ≥98%
    Cas Number: 24140-30-5
    Formula:  C22H25NO3        Molecular Weight: 351.446
    SMILES:  CCC(C)COC(=O)C=CC1=CC=C(C=C1)N=CC2=CC=C(C=C2)OC
    InChIKey: FKZXVOQEYXOXAD-VPCHJHAQSA-N
    InChI:  InChI=1S/C22H25NO3/c1-4-17(2)16-26-22(24)14-9-18-5-10-20(11-6-18)23-15-19-7-12-21(25-3)13-8-19/h5-15,17H,4,16H2,1-3H3/b14-9+,23-15?/t17-/m0/s1
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