小分子和化合物库

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显示第112个,产品总数46

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  1. 吡咯喹啉醌 (PQQ)
      规格或纯度 :
    • ≥98%(HPLC)
    CAS号 : 72909-34-3        Compound CID : 1024
    分子式: C14H6N2O8        分子量: 330.21
    IUPAC Name: 4,5-dioxo-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid
    SMILES: C1=C(C2=C(C(=O)C(=O)C3=C2NC(=C3)C(=O)O)N=C1C(=O)O)C(=O)O
    InChIKey: MMXZSJMASHPLLR-UHFFFAOYSA-N
    InChI: InChI=1S/C14H6N2O8/c17-10-4-2-6(14(23)24)15-8(4)7-3(12(19)20)1-5(13(21)22)16-9(7)11(10)18/h1-2,15H,(H,19,20)(H,21,22)(H,23,24)
  2. CID 2745687,孤儿受体GPR35抑制剂
      规格或纯度 :
    • ≥95%
    CAS号 : 264233-05-8        Compound CID : 9581011
    分子式: C17H19F2N5O2S        分子量: 395.43
    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: 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+
  3. YE 120,GPR35激动剂
      规格或纯度 :
    • ≥98%(HPLC)
    CAS号 : 383124-82-1        Compound CID : 12138435
    分子式: C16H9Cl2N3O        分子量: 330.17
    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: 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
  4. TCS 3035,GPR35激动剂
      规格或纯度 :
    • ≥98%(HPLC)
    CAS号 : 871085-49-3        Compound CID : 2295463
    分子式: C12H9NO5S        分子量: 279.27
    IUPAC Name: 2-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetic acid
    SMILES: C1=CC(=CC=C1C=C2C(=O)NC(=O)S2)OCC(=O)O
    InChIKey: WXMCOLGPDOYHNK-UITAMQMPSA-N
    InChI: InChI=1S/C12H9NO5S/c14-10(15)6-18-8-3-1-7(2-4-8)5-9-11(16)13-12(17)19-9/h1-5H,6H2,(H,14,15)(H,13,16,17)/b9-5-
  5. TC-G 1001,GPR35激动剂
      规格或纯度 :
    • ≥98%(HPLC)
    CAS号 : 494191-73-0        Compound CID : 135468531
    分子式: C17H11FN2O3S        分子量: 342.34
    IUPAC Name: 4-[(Z)-[2-(2-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoic acid
    SMILES: C1=CC=C(C(=C1)N=C2NC(=O)C(=CC3=CC=C(C=C3)C(=O)O)S2)F
    InChIKey: SYCKPHBALHXMIR-ZROIWOOFSA-N
    InChI: InChI=1S/C17H11FN2O3S/c18-12-3-1-2-4-13(12)19-17-20-15(21)14(24-17)9-10-5-7-11(8-6-10)16(22)23/h1-9H,(H,22,23)(H,19,20,21)/b14-9-
  6. ML 145,GPR35拮抗剂
      规格或纯度 :
    • ≥98%(HPLC)
    CAS号 : 1164500-72-4        Compound CID : 2286812
    分子式: C24H22N2O5S2        分子量: 482.57
    IUPAC Name: 2-hydroxy-4-[4-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]benzoic acid
    SMILES: CC(=CC1=CC=CC=C1)C=C2C(=O)N(C(=S)S2)CCCC(=O)NC3=CC(=C(C=C3)C(=O)O)O
    InChIKey: COFMYJWNXSFLKQ-QIROLCGISA-N
    InChI: InChI=1S/C24H22N2O5S2/c1-15(12-16-6-3-2-4-7-16)13-20-22(29)26(24(32)33-20)11-5-8-21(28)25-17-9-10-18(23(30)31)19(27)14-17/h2-4,6-7,9-10,12-14,27H,5,8,11H2,1H3,(H,25,28)(H,30,31)/b15-12+,20-13-
  7. Compound 10
      规格或纯度 :
    • ≥97%
    CAS号 : 123021-85-2        Compound CID : 2295463
    分子式: C12H9NO5S        分子量: 279.27
    IUPAC Name: 2-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetic acid
    SMILES: C1=CC(=CC=C1C=C2C(=O)NC(=O)S2)OCC(=O)O
    InChIKey: WXMCOLGPDOYHNK-UITAMQMPSA-N
    InChI: InChI=1S/C12H9NO5S/c14-10(15)6-18-8-3-1-7(2-4-8)5-9-11(16)13-12(17)19-9/h1-5H,6H2,(H,14,15)(H,13,16,17)/b9-5-
  8. Bufrolin
      规格或纯度 :
    • ≥95%
    CAS号 : 54867-56-0        Compound CID : 72103
    分子式: C18H16N2O6        分子量: 356.33
    IUPAC Name: 6-butyl-4,10-dioxo-1,7-dihydro-1,7-phenanthroline-2,8-dicarboxylic acid
    SMILES: CCCCC1=CC2=C(C3=C1NC(=CC3=O)C(=O)O)NC(=CC2=O)C(=O)O
    InChIKey: BQVIONBNDNFCCP-UHFFFAOYSA-N
    InChI: InChI=1S/C18H16N2O6/c1-2-3-4-8-5-9-12(21)6-10(17(23)24)20-16(9)14-13(22)7-11(18(25)26)19-15(8)14/h5-7H,2-4H2,1H3,(H,19,22)(H,20,21)(H,23,24)(H,25,26)
  9. AZ 191
    CAS号 : 1594092-37-1        Compound CID : 72716071
    分子式: C24H27N7O        分子量: 429.52
    IUPAC Name: N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-4-(1-methylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine
    SMILES: CN1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=CC(=N3)C4=CN(C5=C4C=CN=C5)C)OC
    InChIKey: ZYVXTMKTGDARKR-UHFFFAOYSA-N
    InChI: InChI=1S/C24H27N7O/c1-29-10-12-31(13-11-29)17-4-5-21(23(14-17)32-3)28-24-26-9-7-20(27-24)19-16-30(2)22-15-25-8-6-18(19)22/h4-9,14-16H,10-13H2,1-3H3,(H,26,27,28)
  10. A-674563
    CAS号 : 552325-73-2        Compound CID : 11314340
    分子式: C22H22N4O        分子量: 358.44
    IUPAC Name: (2S)-1-[5-(3-methyl-2H-indazol-5-yl)pyridin-3-yl]oxy-3-phenylpropan-2-amine
    SMILES: CC1=C2C=C(C=CC2=NN1)C3=CC(=CN=C3)OCC(CC4=CC=CC=C4)N
    InChIKey: BPNUQXPIQBZCMR-IBGZPJMESA-N
    InChI: InChI=1S/C22H22N4O/c1-15-21-11-17(7-8-22(21)26-25-15)18-10-20(13-24-12-18)27-14-19(23)9-16-5-3-2-4-6-16/h2-8,10-13,19H,9,14,23H2,1H3,(H,25,26)/t19-/m0/s1
  11. 双香豆素
    CAS号 : 66-76-2        Compound CID : 54676038
    分子式: C19H12O6        分子量: 336.3
    IUPAC Name: 4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)methyl]chromen-2-one
    SMILES: C1=CC=C2C(=C1)C(=C(C(=O)O2)CC3=C(C4=CC=CC=C4OC3=O)O)O
    InChIKey: DOBMPNYZJYQDGZ-UHFFFAOYSA-N
    InChI: InChI=1S/C19H12O6/c20-16-10-5-1-3-7-14(10)24-18(22)12(16)9-13-17(21)11-6-2-4-8-15(11)25-19(13)23/h1-8,20-21H,9H2
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