Acylaminobenzoic acid and derivatives

Description:

Derivatives of amino benzoic acid derivatives where the amine group is N-acylated.

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  1. methyl 2-[[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzoate
    CAS: 330951-01-4 Formula: C18H17N3O4S Molecular Weight: 371.400
    Out of Stock Item #: M1002041
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    IUPAC Name
    methyl 2-[[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzoate
    SMILES
    COC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC3=CC=CC=C3C(=O)OC
    InChIKey
    GZBULYAKSCNNPA-UHFFFAOYSA-N
    InChI
    1S/C18H17N3O4S/c1-24-11-7-8-14-15(9-11)21-18(20-14)26-10-16(22)19-13-6-4-3-5-12(13)17(23)25-2/h3-9H,10H2,1-2H3,(H,19,22)(H,20,21)
  2. Propan-2-yl 4-(3,4-dichloro-2,5-dioxopyrrol-1-yl)benzoate
    CAS: 704878-75-1 PubChem CID: 733745
    Out of Stock Item #: P1031885
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    IUPAC Name
    propan-2-yl 4-(3,4-dichloro-2,5-dioxopyrrol-1-yl)benzoate
    SMILES
    CC(C)OC(=O)C1=CC=C(C=C1)N2C(=O)C(=C(C2=O)Cl)Cl
    InChIKey
    LZAMLWVXUVJMPU-UHFFFAOYSA-N
    InChI
    1S/C14H11Cl2NO4/c1-7(2)21-14(20)8-3-5-9(6-4-8)17-12(18)10(15)11(16)13(17)19/h3-7H,1-2H3
  3. TDRL-X80
    CAS: 292065-64-6 EC Number: 687-193-0 PubChem CID: 5346781 Formula: C23H15ClN2O6 Molecular Weight: 450.83
    Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥95%, mixture of cis trans isomers
    Out of Stock Item #: A1273721
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    IUPAC Name
    5-[5-[(Z)-[1-(3-carboxyphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]furan-2-yl]-2-chlorobenzoic acid
    SMILES
    CC1=NN(C(=O)C1=CC2=CC=C(O2)C3=CC(=C(C=C3)Cl)C(=O)O)C4=CC=CC(=C4)C(=O)O
    InChIKey
    XZRBYOCWWJMJRZ-BOPFTXTBSA-N
    InChI
    1S/C23H15ClN2O6/c1-12-17(21(27)26(25-12)15-4-2-3-14(9-15)22(28)29)11-16-6-8-20(32-16)13-5-7-19(24)18(10-13)23(30)31/h2-11H,1H3,(H,28,29)(H,30,31)/b17-show more
  4. 2,5-dioxopyrrolidin-1-yl 1-(3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenyl)-1-oxo-5,8,11,14-tetraoxa-2-azaheptadecan-17-oate
    CAS: 1263044-88-7 PubChem CID: 51341014
    Out of Stock Item #: D1263370
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    IUPAC Name
    (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[[3-(2,5-dioxopyrrol-1-yl)benzoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
    SMILES
    C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCNC(=O)C2=CC(=CC=C2)N3C(=O)C=CC3=O
    InChIKey
    QDLKNPCHCJFKOJ-UHFFFAOYSA-N
    InChI
    1S/C26H31N3O11/c30-21-4-5-22(31)28(21)20-3-1-2-19(18-20)26(35)27-9-11-37-13-15-39-17-16-38-14-12-36-10-8-25(34)40-29-23(32)6-7-24(29)33/h1-5,18H,6-17Hshow more
  5. Cloxacepride
    CAS: 65569-29-1 Formula: C22H27Cl2N3O4 Molecular Weight: 468.4
    Out of Stock Item #: C1310885
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    IUPAC Name
    5-chloro-4-[[2-(4-chlorophenoxy)acetyl]amino]-N-[2-(diethylamino)ethyl]-2-methoxybenzamide
    SMILES
    CCN(CC)CCNC(=O)C1=CC(=C(C=C1OC)NC(=O)COC2=CC=C(C=C2)Cl)Cl
    InChIKey
    VZNJZQAFQDEJOO-UHFFFAOYSA-N
    InChI
    1S/C22H27Cl2N3O4/c1-4-27(5-2)11-10-25-22(29)17-12-18(24)19(13-20(17)30-3)26-21(28)14-31-16-8-6-15(23)7-9-16/h6-9,12-13H,4-5,10-11,14H2,1-3H3,(H,25,29)show more
  6. Tnik-IN-1
    CAS: 933886-36-3 Formula: C19H17N5O3S Molecular Weight: 395.4
    Out of Stock Item #: T1266874
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    IUPAC Name
    5-[(4-acetamidobenzoyl)amino]-2-anilino-1,3-thiazole-4-carboxamide
    SMILES
    CC(=O)NC1=CC=C(C=C1)C(=O)NC2=C(N=C(S2)NC3=CC=CC=C3)C(=O)N
    InChIKey
    OOYMGIRITPQNDA-UHFFFAOYSA-N
    InChI
    1S/C19H17N5O3S/c1-11(25)21-14-9-7-12(8-10-14)17(27)24-18-15(16(20)26)23-19(28-18)22-13-5-3-2-4-6-13/h2-10H,1H3,(H2,20,26)(H,21,25)(H,22,23)(H,24,27)
  7. Methyl 2-formamidobenzoate
    CAS: 41270-80-8 EC Number: 255-287-7 PubChem CID: 162458 Formula: C9H9NO3 Molecular Weight: 179.17
    Solid ≥95%
    Out of Stock Item #: M771033
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    Technical Identifiers
    IUPAC Name
    methyl 2-formamidobenzoate
    SMILES
    COC(=O)C1=CC=CC=C1NC=O
    InChIKey
    HRNPZFOYXWWMFL-UHFFFAOYSA-N
    InChI
    1S/C9H9NO3/c1-13-9(12)7-4-2-3-5-8(7)10-6-11/h2-6H,1H3,(H,10,11)
  8. ethyl 4-acrylamidobenzoate
    CAS: 14745-58-5 Formula: C12H13NO3 Molecular Weight: 219.24
    Solid ≥95%
    Out of Stock Item #: E768649
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    Technical Identifiers
    SMILES
    CCOC(=O)C1=CC=C(C=C1)NC(=O)C=C
    InChIKey
    WPLURKJQMNROKG-UHFFFAOYSA-N
    InChI
    1S/C12H13NO3/c1-3-11(14)13-10-7-5-9(6-8-10)12(15)16-4-2/h3,5-8H,1,4H2,2H3,(H,13,14)
  9. N-Desmethyl Iomeprol
    CAS: 77868-40-7 PubChem CID: 10908853 Formula: C16H20I3N3O8 Molecular Weight: 763.06
    Out of Stock Item #: N768583
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    IUPAC Name
    1-N,3-N-bis(2,3-dihydroxypropyl)-5-[(2-hydroxyacetyl)amino]-2,4,6-triiodobenzene-1,3-dicarboxamide
    SMILES
    C(C(CO)O)NC(=O)C1=C(C(=C(C(=C1I)NC(=O)CO)I)C(=O)NCC(CO)O)I
    InChIKey
    ZPJJDGLVOWPGAN-UHFFFAOYSA-N
    InChI
    1S/C16H20I3N3O8/c17-11-9(15(29)20-1-6(26)3-23)12(18)14(22-8(28)5-25)13(19)10(11)16(30)21-2-7(27)4-24/h6-7,23-27H,1-5H2,(H,20,29)(H,21,30)(H,22,28)
  10. Methyl 4-(butyrylamino)-3-methyl-5-nitrobenzoate
    CAS: 152628-01-8 EC Number: 604-865-0 PubChem CID: 9795680 Formula: C13H16N2O5 Molecular Weight: 280.28
    Solid ≥97%
    In Stock Item #: M710313
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    Technical Identifiers
    IUPAC Name
    methyl 4-(butanoylamino)-3-methyl-5-nitrobenzoate
    SMILES
    CCCC(=O)NC1=C(C=C(C=C1C)C(=O)OC)[N+](=O)[O-]
    InChIKey
    IGCBUUTXGYCQAI-UHFFFAOYSA-N
    InChI
    1S/C13H16N2O5/c1-4-5-11(16)14-12-8(2)6-9(13(17)20-3)7-10(12)15(18)19/h6-7H,4-5H2,1-3H3,(H,14,16)
    Synonyms
    3-Methyl-5-nitro-4-[(1-oxobutyl)amino]-benzoic acid methyl ester | Methyl-4-butyramido-3-methyl-5-nitro benzoate
  11. Methyl 2-(2-(diethylamino)acetamido)-3-methylbenzoate
    CAS: 3686-58-6 EC Number: 222-976-9 PubChem CID: 72137 Formula: C15H22N2O3 Molecular Weight: 278.35
    Out of Stock Item #: M735564
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    Technical Identifiers
    IUPAC Name
    methyl 2-[[2-(diethylamino)acetyl]amino]-3-methylbenzoate
    SMILES
    CCN(CC)CC(=O)NC1=C(C=CC=C1C(=O)OC)C
    InChIKey
    UDKICLZCJWQTLS-UHFFFAOYSA-N
    InChI
    1S/C15H22N2O3/c1-5-17(6-2)10-13(18)16-14-11(3)8-7-9-12(14)15(19)20-4/h7-9H,5-6,10H2,1-4H3,(H,16,18)
  12. 4-(Cyclopropanecarboxamido)benzoic acid
    CAS: 23745-26-8 PubChem CID: 3145878 Formula: C11H11NO3 Molecular Weight: 205.21
    Solid ≥98%
    In Stock Item #: B708554
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    Technical Identifiers
    IUPAC Name
    4-(cyclopropanecarbonylamino)benzoic acid
    SMILES
    C1CC1C(=O)NC2=CC=C(C=C2)C(=O)O
    InChIKey
    RXFRECYQSDDFRO-UHFFFAOYSA-N
    InChI
    1S/C11H11NO3/c13-10(7-1-2-7)12-9-5-3-8(4-6-9)11(14)15/h3-7H,1-2H2,(H,12,13)(H,14,15)
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