Benzoyl derivatives

Description:

Organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-).

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  1. Purfalcamine
    CAS: 1038620-68-6 PubChem CID: 24762166
    Out of Stock Item #: P1231099
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    IUPAC Name
    [4-[[2-[(4-aminocyclohexyl)amino]-9-(3-fluorophenyl)purin-6-yl]amino]phenyl]-piperidin-1-ylmethanone
    SMILES
    C1CCN(CC1)C(=O)C2=CC=C(C=C2)NC3=C4C(=NC(=N3)NC5CCC(CC5)N)N(C=N4)C6=CC(=CC=C6)F
    InChIKey
    KRCOMOOXOZSNAJ-UHFFFAOYSA-N
    InChI
    1S/C29H33FN8O/c30-20-5-4-6-24(17-20)38-18-32-25-26(35-29(36-27(25)38)34-23-13-9-21(31)10-14-23)33-22-11-7-19(8-12-22)28(39)37-15-2-1-3-16-37/h4-8,11-1show more
  2. 1,4-Bis(4-(pyrrolidinyl)piperidinyl)benzamide
    CAS: 1322591-19-4 Formula: C26H38N4O2 Molecular Weight: 438.6
    Out of Stock Item #: B1282820
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    IUPAC Name
    [4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
    SMILES
    C1CCN(C1)C2CCN(CC2)C(=O)C3=CC=C(C=C3)C(=O)N4CCC(CC4)N5CCCC5
    InChIKey
    HIWUTKCNKODAMJ-UHFFFAOYSA-N
    InChI
    1S/C26H38N4O2/c31-25(29-17-9-23(10-18-29)27-13-1-2-14-27)21-5-7-22(8-6-21)26(32)30-19-11-24(12-20-30)28-15-3-4-16-28/h5-8,23-24H,1-4,9-20H2
  3. (Z)-1-(4-Chlorophenyl)-3-(3-hydroxyphenylamino)but-2-en-1-one
    CAS: 944153-47-3 Formula: C16H14ClNO2 Molecular Weight: 287.74
    Out of Stock Item #: Z1335999
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    IUPAC Name
    (Z)-1-(4-chlorophenyl)-3-(3-hydroxyanilino)but-2-en-1-one
    SMILES
    C/C(=C/C(=O)C1=CC=C(C=C1)Cl)/NC2=CC(=CC=C2)O
    InChIKey
    SNEQASFEVWLKOJ-LUAWRHEFSA-N
    InChI
    1S/C16H14ClNO2/c1-11(18-14-3-2-4-15(19)10-14)9-16(20)12-5-7-13(17)8-6-12/h2-10,18-19H,1H3/b11-9-
  4. Syd-003
    CAS: 249937-52-8 Formula: C19H18FN3O4 Molecular Weight: 371.400
    Out of Stock Item #: S997334
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    IUPAC Name
    [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(2,3-dihydroxypropoxy)phenyl]methanone
    SMILES
    C1=CC(=CC(=C1)OCC(CO)O)C(=O)C2=C(N(N=C2)C3=CC=C(C=C3)F)N
    InChIKey
    IJDQETGUEUJVTB-UHFFFAOYSA-N
    InChI
    1S/C19H18FN3O4/c20-13-4-6-14(7-5-13)23-19(21)17(9-22-23)18(26)12-2-1-3-16(8-12)27-11-15(25)10-24/h1-9,15,24-25H,10-11,21H2
  5. Benzeneacetic acid, alpha-oxo-, sodium salt (1:1)
    CAS: 43165-51-1 PubChem CID: 23677814 Formula: C8H5NaO3 Molecular Weight: 172.11
    Out of Stock Item #: B1332810
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    IUPAC Name
    sodium;2-oxo-2-phenylacetate
    SMILES
    C1=CC=C(C=C1)C(=O)C(=O)[O-].[Na+]
    InChIKey
    GGDFZLZSWSCHFU-UHFFFAOYSA-M
    InChI
    1S/C8H6O3.Na/c9-7(8(10)11)6-4-2-1-3-5-6;/h1-5H,(H,10,11);/q;+1/p-1
  6. 1-(3-Methylbenzoyl)-1H-indazole-3-carbonitrile
    CAS: 1448314-31-5 PubChem CID: 71818549
    Out of Stock Item #: M987506
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    IUPAC Name
    1-(3-methylbenzoyl)indazole-3-carbonitrile
    SMILES
    CC1=CC(=CC=C1)C(=O)N2C3=CC=CC=C3C(=N2)C#N
    InChIKey
    KRFSMLDUZFVINX-UHFFFAOYSA-N
    InChI
    1S/C16H11N3O/c1-11-5-4-6-12(9-11)16(20)19-15-8-3-2-7-13(15)14(10-17)18-19/h2-9H,1H3
  7. OPC-28326 free base
    CAS: 167626-17-7 PubChem CID: 219020
    Out of Stock Item #: O1055327
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    IUPAC Name
    N-[2,6-dimethyl-4-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]phenyl]propanamide
    SMILES
    CCC(=O)NC1=C(C=C(C=C1C)C(=O)N2CCC(CC2)N(C)CCC3=CC=CC=C3)C
    InChIKey
    BESKMDLUOAVUJF-UHFFFAOYSA-N
    InChI
    1S/C26H35N3O2/c1-5-24(30)27-25-19(2)17-22(18-20(25)3)26(31)29-15-12-23(13-16-29)28(4)14-11-21-9-7-6-8-10-21/h6-10,17-18,23H,5,11-16H2,1-4H3,(H,27,30)
  8. DORA-22
    CAS: 1088991-95-0 Formula: C23H22F2N4O22 Molecular Weight: 424.44
    Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
    Out of Stock Item #: D1021170
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    IUPAC Name
    [(2R,5R)-5-[(5-fluoropyridin-2-yl)oxymethyl]-2-methylpiperidin-1-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone
    SMILES
    CC1CCC(CN1C(=O)C2=C(C=CC(=C2)F)C3=NC=CC=N3)COC4=NC=C(C=C4)F
    InChIKey
    ADNQCBKNFSDDHY-HZPDHXFCSA-N
    InChI
    1S/C23H22F2N4O2/c1-15-3-4-16(14-31-21-8-6-18(25)12-28-21)13-29(15)23(30)20-11-17(24)5-7-19(20)22-26-9-2-10-27-22/h2,5-12,15-16H,3-4,13-14H2,1H3/t15-,1show more
    Synonyms
    (5-Fluoro-2-(pyrimidin-2-yl)phenyl)((2R,5R)-5-(((5-fluoropyridin-2-yl)oxy)methyl)-2-methylpiperidin-1-yl)methanone
  9. (E)-1-(2-hydroxyphenyl)-3-pyridin-3-ylprop-2-en-1-one
    CAS: 908563-68-8 PubChem CID: 5356048 Formula: C14H11NO2
    Out of Stock Item #: E1354854
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    IUPAC Name
    (E)-1-(2-hydroxyphenyl)-3-pyridin-3-ylprop-2-en-1-one
    SMILES
    C1=CC=C(C(=C1)C(=O)C=CC2=CN=CC=C2)O
    InChIKey
    CRWNZUBUBIULHB-BQYQJAHWSA-N
    InChI
    1S/C14H11NO2/c16-13-6-2-1-5-12(13)14(17)8-7-11-4-3-9-15-10-11/h1-10,16H/b8-7+
  10. [1,1':3',1''-Terphenyl]-4,4''-dicarbaldehyde
    CAS: 171820-02-3 Formula: C20H14O2 Molecular Weight: 286.32
    Solid ≥95%
    Out of Stock Item #: M768438
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    IUPAC Name
    4-[3-(4-formylphenyl)phenyl]benzaldehyde
    SMILES
    C1=CC(=CC(=C1)C2=CC=C(C=C2)C=O)C3=CC=C(C=C3)C=O
    InChIKey
    JOAUBPSPFGRWSQ-UHFFFAOYSA-N
    InChI
    1S/C20H14O2/c21-13-15-4-8-17(9-5-15)19-2-1-3-20(12-19)18-10-6-16(14-22)7-11-18/h1-14H
  11. 4-formylphenyl dimethylcarbamate
    CAS: 92310-70-8 Formula: C10H11NO3 Molecular Weight: 193.20
    Out of Stock Item #: F770905
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    Technical Identifiers
    SMILES
    CN(C)C(=O)OC1=CC=C(C=C1)C=O
    InChIKey
    WCOLJMAMMRLYIC-UHFFFAOYSA-N
    InChI
    1S/C10H11NO3/c1-11(2)10(13)14-9-5-3-8(7-12)4-6-9/h3-7H,1-2H3
  12. 2,4-DIMETHYL-3-FLUOROBENZALDEHYDE
    CAS: 363134-36-5 PubChem CID: 12040711
    Out of Stock Item #: D769412
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    Technical Identifiers
    IUPAC Name
    3-fluoro-2,4-dimethylbenzaldehyde
    SMILES
    CC1=C(C(=C(C=C1)C=O)C)F
    InChIKey
    URYIONJXXXXOCG-UHFFFAOYSA-N
    InChI
    1S/C9H9FO/c1-6-3-4-8(5-11)7(2)9(6)10/h3-5H,1-2H3
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