VACTERL association (DOID:14679)

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  1. A 1070722
    CAS: 1384424-80-9 EC Number: 806-249-9 Formula: C17H13F3N4O2 Molecular Weight: 362.31
    In Stock Item #: A287682
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    IUPAC Name
    1-(7-methoxyquinolin-4-yl)-3-[6-(trifluoromethyl)pyridin-2-yl]urea
    SMILES
    COC1=CC2=NC=CC(=C2C=C1)NC(=O)NC3=CC=CC(=N3)C(F)(F)F
    InChIKey
    VQPBIJGXSXEOCU-UHFFFAOYSA-N
    InChI
    1S/C17H13F3N4O2/c1-26-10-5-6-11-12(7-8-21-13(11)9-10)22-16(25)24-15-4-2-3-14(23-15)17(18,19)20/h2-9H,1H3,(H2,21,22,23,24,25)
    Synonyms
    A-1070722 | Kinome_2324 | A 1070722 | Kinome_2278 | EX-A3458 | VQPBIJGXSXEOCU-UHFFFAOYSA-N | MS-25747 | E98977 | J-00...
  2. YE 120
    CAS: 383124-82-1 PubChem CID: 12138435 Formula: C16H9Cl2N3O Molecular Weight: 330.17
    In Stock Item #: Y288874
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    IUPAC Name
    2-[3-cyano-5-(3,4-dichlorophenyl)-4,5-dimethylfuran-2-ylidene]propanedinitrile
    SMILES
    CC1=C(C(=C(C#N)C#N)OC1(C)C2=CC(=C(C=C2)Cl)Cl)C#N
    InChIKey
    RSWZFAPYKOARNG-UHFFFAOYSA-N
    InChI
    1S/C16H9Cl2N3O/c1-9-12(8-21)15(10(6-19)7-20)22-16(9,2)11-3-4-13(17)14(18)5-11/h3-5H,1-2H3
    Synonyms
    2-[3-Cyano-5-(3,4-dichloro-phenyl)-4,5-dimethyl-5H-furan-2-ylidene]-malononitrile | 2-[3-cyano-5-(3,4-dichlorophenyl)...
  3. CID 2745687
    CAS: 264233-05-8 Formula: C17H19F2N5O2S Molecular Weight: 395.43
    In Stock Item #: C276090
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    IUPAC Name
    methyl 5-[(E)-(tert-butylcarbamothioylhydrazinylidene)methyl]-1-(2,4-difluorophenyl)pyrazole-4-carboxylate
    SMILES
    CC(C)(C)NC(=S)NN=CC1=C(C=NN1C2=C(C=C(C=C2)F)F)C(=O)OC
    InChIKey
    CYNLZIBKERMMOA-AWQFTUOYSA-N
    InChI
    1S/C17H19F2N5O2S/c1-17(2,3)22-16(27)23-20-9-14-11(15(25)26-4)8-21-24(14)13-6-5-10(18)7-12(13)19/h5-9H,1-4H3,(H2,22,23,27)/b20-9+
    Synonyms
    ML194 | CID-9581011 | 1-(2,4-Difluorophenyl)-5-[[2-[[(1,1-dimethylehyl)amino]thioxomethyl]hydrazinylidene]methyl]-1H-...
  4. BMS-509744, Inhibitor of IL2 inducible T cell kinase
    CAS: 439575-02-7 PubChem CID: 11467730 Formula: C32H41N5O4S2 Molecular Weight: 623.83
    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 #: B608130
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    IUPAC Name
    N-[5-[5-(4-acetylpiperazine-1-carbonyl)-4-methoxy-2-methylphenyl]sulfanyl-1,3-thiazol-2-yl]-4-[(3,3-dimethylbutan-2-ylamino)methyl]benzamide
    SMILES
    CC1=CC(=C(C=C1SC2=CN=C(S2)NC(=O)C3=CC=C(C=C3)CNC(C)C(C)(C)C)C(=O)N4CCN(CC4)C(=O)C)OC
    InChIKey
    ZHXNIYGJAOPMSO-UHFFFAOYSA-N
    InChI
    1S/C32H41N5O4S2/c1-20-16-26(41-7)25(30(40)37-14-12-36(13-15-37)22(3)38)17-27(20)42-28-19-34-31(43-28)35-29(39)24-10-8-23(9-11-24)18-33-21(2)32(4,5)6/hshow more
    Synonyms
    UNII-5V7VG25953 | BMS 509744 | BMS509744 | BMS-509744 | HY-11092 | CHEBI:91404 | N-(5-((5-(4-Acetylpiperazine-1-carbo...
  5. N-(2-hydroxyethyl)-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]benzamide, Agonist of GPR52
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.
    Out of Stock Item #: N609406
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    IUPAC Name
    N-(2-hydroxyethyl)-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]benzamide
    SMILES
    OCCNC(=O)c1cccc(c1)c1cccc2c1cc(o2)Cc1cccc(c1)C(F)(F)F
    InChIKey
    LBKIJSKRXVUWER-UHFFFAOYSA-N
    InChI
    1S/C25H20F3NO3/c26-25(27,28)19-7-1-4-16(12-19)13-20-15-22-21(8-3-9-23(22)32-20)17-5-2-6-18(14-17)24(31)29-10-11-30/h1-9,12,14-15,30H,10-11,13H2,(H,29,show more
    Synonyms
    compound 7a
  6. 4-(Hexyloxy)-4'-biphenylcarboxylic acid
    CAS: 59748-16-2 PubChem CID: 3563820 Formula: C19H22O3 Molecular Weight: 298.4
    Out of Stock Item #: H668834
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    IUPAC Name
    4-(4-hexoxyphenyl)benzoic acid
    SMILES
    CCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)O
    InChIKey
    IWWNTISKHOYKAN-UHFFFAOYSA-N
    InChI
    1S/C19H22O3/c1-2-3-4-5-14-22-18-12-10-16(11-13-18)15-6-8-17(9-7-15)19(20)21/h6-13H,2-5,14H2,1H3,(H,20,21)
    Synonyms
    4-(Hexyloxy)-4'-biphenylcarboxylic acid | 4-(4-hexoxyphenyl)benzoic Acid | 4-n-Hexyloxybiphenyl-4'-carboxylic acid | ...
  7. ITK antagonist
    CAS: 1149753-56-9 PubChem CID: 44201333
    Out of Stock Item #: I1452345
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    IUPAC Name
    N-[5-[[[(2S)-3,3-dimethylbutan-2-yl]amino]methyl]-1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-5-(1H-pyrazol-4-yl)thiophene-2-carboxamide
    SMILES
    CC(C(C)(C)C)NCC1=CC2=C(C=C1)N(C(=N2)NC(=O)C3=CC=C(S3)C4=CNN=C4)CC(C)(C)O
    InChIKey
    MUAICZWSFWUFNA-INIZCTEOSA-N
    InChI
    1S/C26H34N6O2S/c1-16(25(2,3)4)27-12-17-7-8-20-19(11-17)30-24(32(20)15-26(5,6)34)31-23(33)22-10-9-21(35-22)18-13-28-29-14-18/h7-11,13-14,16,27,34H,12,1show more
  8. A 1070722
    CAS: 1384424-80-9 EC Number: 806-249-9 Formula: C17H13F3N4O2 Molecular Weight: 362.31
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. 10 mM in DMSO
    Out of Stock Item #: A1493966
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  9. BMS-509744
    CAS: 439575-02-7 PubChem CID: 11467730 Formula: C32H41N5O4S2 Molecular Weight: 623.83
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. 10 mM in DMSO
    Out of Stock Item #: B1494442
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  10. CID 2745687
    CAS: 264233-05-8 Formula: C17H19F2N5O2S Molecular Weight: 395.43
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. 10 mM in DMSO
    Out of Stock Item #: C1493969
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