Benzoic acids and derivatives

Description:

Organic compounds containing a carboxylic acid substituent attached to a benzene ring.

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  1. 4-(2-Methyl-thiazol-4-yl)-benzoic acid
    CAS: 294620-60-3 PubChem CID: 654980 Formula: C11H9NO2S Molecular Weight: 219.26
    Out of Stock Item #: M1369247
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    IUPAC Name
    4-(2-methyl-1,3-thiazol-4-yl)benzoic acid
    SMILES
    CC1=NC(=CS1)C2=CC=C(C=C2)C(=O)O
    InChIKey
    NYJHTTLXERQUIV-UHFFFAOYSA-N
    InChI
    1S/C11H9NO2S/c1-7-12-10(6-15-7)8-2-4-9(5-3-8)11(13)14/h2-6H,1H3,(H,13,14)
    Synonyms
    4-(2-Methyl-1,3-thiazol-4-yl)benzoic acid
  2. 1-Benzoyl-3-(pyridin-2-yl)thiourea
    CAS: 4921-86-2 EC Number: 977-104-6 PubChem CID: 708470 Formula: C13H11N3OS Molecular Weight: 257.31
    Out of Stock Item #: N1073479
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    IUPAC Name
    N-(pyridin-2-ylcarbamothioyl)benzamide
    SMILES
    C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=N2
    InChIKey
    PNBLAGJAUXZQTL-UHFFFAOYSA-N
    InChI
    1S/C13H11N3OS/c17-12(10-6-2-1-3-7-10)16-13(18)15-11-8-4-5-9-14-11/h1-9H,(H2,14,15,16,17,18)
  3. 2-[(Carboxymethyl)thio]benzoic acid
    CAS: 135-13-7 Formula: C9H8O4S Molecular Weight: 212.22
    Solid ≥96%
    In Stock Item #: O1369723
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    Technical Identifiers
    SMILES
    C1=CC=C(C(=C1)C(=O)O)SCC(=O)O
    InChI
    1S/C9H8O4S/c10-8(11)5-14-7-4-2-1-3-6(7)9(12)13/h1-4H,5H2,(H,10,11)(H,12,13)
  4. 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)
  5. 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
  6. N-((3-isopropylisoxazol-5-yl)methyl)-4-methoxy-3-((1-methylpiperidin-4-yl)oxy)benzamide
    CAS: 1649450-12-3 PubChem CID: 70679283 Formula: C21H29N3O4 Molecular Weight: 387.47
    Out of Stock Item #: N1350731
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    Technical Identifiers
    IUPAC Name
    4-methoxy-3-(1-methylpiperidin-4-yl)oxy-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]benzamide
    SMILES
    CC(C)C1=NOC(=C1)CNC(=O)C2=CC(=C(C=C2)OC)OC3CCN(CC3)C
    InChIKey
    WBLVOWHFRUAMCP-UHFFFAOYSA-N
    InChI
    1S/C21H29N3O4/c1-14(2)18-12-17(28-23-18)13-22-21(25)15-5-6-19(26-4)20(11-15)27-16-7-9-24(3)10-8-16/h5-6,11-12,14,16H,7-10,13H2,1-4H3,(H,22,25)
  7. Monobenzyl Phthalate-d4
    CAS: 478954-83-5 PubChem CID: 71750778 Formula: C15H8D4O4 Molecular Weight: 260.28
    Out of Stock Item #: M1239775
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    IUPAC Name
    2,3,4,5-tetradeuterio-6-phenylmethoxycarbonylbenzoic acid
    SMILES
    C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2C(=O)O
    InChIKey
    XIKIUQUXDNHBFR-DOGSKSIHSA-N
    InChI
    1S/C15H12O4/c16-14(17)12-8-4-5-9-13(12)15(18)19-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,16,17)/i4D,5D,8D,9D
  8. Mono-2-ethyl-5-hydroxyhexyl phthalate
    CAS: 40321-99-1 PubChem CID: 170295 Formula: C16H22O5 Molecular Weight: 294.34
    Out of Stock Item #: M1355170
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    IUPAC Name
    2-(2-ethyl-5-hydroxyhexoxy)carbonylbenzoic acid
    SMILES
    CCC(CCC(C)O)COC(=O)C1=CC=CC=C1C(=O)O
    InChIKey
    RYPQSGURZSTFSX-UHFFFAOYSA-N
    InChI
    1S/C16H22O5/c1-3-12(9-8-11(2)17)10-21-16(20)14-7-5-4-6-13(14)15(18)19/h4-7,11-12,17H,3,8-10H2,1-2H3,(H,18,19)
  9. GSK3beta Inhibitor XVIII
    CAS: 1139875-74-3 Formula: C20H20ClN5OS Molecular Weight: 413.900
    Out of Stock Item #: G972003
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    IUPAC Name
    [2-chloro-4-[(4-thiophen-2-ylpyrimidin-2-yl)amino]phenyl]-(4-methylpiperazin-1-yl)methanone
    SMILES
    CN1CCN(CC1)C(=O)C2=C(C=C(C=C2)NC3=NC=CC(=N3)C4=CC=CS4)Cl
    InChIKey
    CLDIUVXCUVQLGD-UHFFFAOYSA-N
    InChI
    1S/C20H20ClN5OS/c1-25-8-10-26(11-9-25)19(27)15-5-4-14(13-16(15)21)23-20-22-7-6-17(24-20)18-3-2-12-28-18/h2-7,12-13H,8-11H2,1H3,(H,22,23,24)
  10. Nesosteine
    CAS: 84233-61-4 Formula: C11H11NO3S Molecular Weight: 237.28
    Out of Stock Item #: N1334095
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    IUPAC Name
    2-(1,3-thiazolidine-3-carbonyl)benzoic acid
    SMILES
    C1CSCN1C(=O)C2=CC=CC=C2C(=O)O
    InChIKey
    XVAYJUBRRZOANH-UHFFFAOYSA-N
    InChI
    1S/C11H11NO3S/c13-10(12-5-6-16-7-12)8-3-1-2-4-9(8)11(14)15/h1-4H,5-7H2,(H,14,15)
  11. Myxochelin A
    CAS: 120243-02-9 PubChem CID: 16093504 Formula: C20H24N2O7 Molecular Weight: 404.41
    Out of Stock Item #: M1266792
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    IUPAC Name
    N-[(5S)-5-[(2,3-dihydroxybenzoyl)amino]-6-hydroxyhexyl]-2,3-dihydroxybenzamide
    SMILES
    C1=CC(=C(C(=C1)O)O)C(=O)NCCCCC(CO)NC(=O)C2=C(C(=CC=C2)O)O
    InChIKey
    WNBVGSNESTZACV-LBPRGKRZSA-N
    InChI
    1S/C20H24N2O7/c23-11-12(22-20(29)14-7-4-9-16(25)18(14)27)5-1-2-10-21-19(28)13-6-3-8-15(24)17(13)26/h3-4,6-9,12,23-27H,1-2,5,10-11H2,(H,21,28)(H,22,29)show more
  12. Ioxitalamic Acid
    CAS: 28179-44-4 EC Number: 248-887-5 PubChem CID: 34536 Formula: C12H11I3N2O5 Molecular Weight: 643.95
    Out of Stock Item #: I1073669
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    IUPAC Name
    3-acetamido-5-(2-hydroxyethylcarbamoyl)-2,4,6-triiodobenzoic acid
    SMILES
    CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)C(=O)NCCO)I
    InChIKey
    OLAOYPRJVHUHCF-UHFFFAOYSA-N
    InChI
    1S/C12H11I3N2O5/c1-4(19)17-10-8(14)5(11(20)16-2-3-18)7(13)6(9(10)15)12(21)22/h18H,2-3H2,1H3,(H,16,20)(H,17,19)(H,21,22)
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