小分子和化合物库

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显示第112个,产品总数49

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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. 醋酸氢化可的松
      规格或纯度 :
    • ≥98%
    CAS号 : 50-03-3        Compound CID : 5744
    分子式: C23H32O6        分子量: 404.5
    IUPAC Name: [2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
    SMILES: CC(=O)OCC(=O)C1(CCC2C1(CC(C3C2CCC4=CC(=O)CCC34C)O)C)O
    InChIKey: ALEXXDVDDISNDU-JZYPGELDSA-N
    InChI: InChI=1S/C23H32O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h10,16-18,20,26,28H,4-9,11-12H2,1-3H3/t16-,17-,18-,20+,21-,22-,23-/m0/s1
  3. 4-孕烯-3,11,20-三酮
      规格或纯度 :
    • ≥97%
    CAS号 : 516-15-4        Compound CID : 94166
    分子式: C21H28O3        分子量: 328.456
    IUPAC Name: (8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,6,7,8,9,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,11-dione
    SMILES: CC(=O)C1CCC2C1(CC(=O)C3C2CCC4=CC(=O)CCC34C)C
    InChIKey: WKAVAGKRWFGIEA-DADBAOPHSA-N
    InChI: InChI=1S/C21H28O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h10,15-17,19H,4-9,11H2,1-3H3/t15-,16+,17-,19+,20-,21+/m0/s1
  4. 醛甾酮 标准液
      规格或纯度 :
    • 100 μg/mL in acetonitrile
    CAS号 : 52-39-1        Compound CID : 5839
    分子式: C21H28O5        分子量: 360.44
    IUPAC Name: (8S,9S,10R,11S,13R,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-10-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-13-carbaldehyde
    SMILES: CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4C(=O)CO)C=O)O
    InChIKey: PQSUYGKTWSAVDQ-ZVIOFETBSA-N
    InChI: InChI=1S/C21H28O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h8,11,14-17,19,22,25H,2-7,9-10H2,1H3/t14-,15-,16+,17-,19+,20-,21+/m0/s1
  5. 泼尼松龙
      规格或纯度 :
    • ≥98%
    CAS号 : 50-24-8        Compound CID : 5755
    分子式: C21H28O5        分子量: 360.44
    IUPAC Name: (8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
    SMILES: CC12CC(C3C(C1CCC2(C(=O)CO)O)CCC4=CC(=O)C=CC34C)O
    InChIKey: OIGNJSKKLXVSLS-VWUMJDOOSA-N
    InChI: InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1
  6. 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+
  7. 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
  8. 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-
  9. 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-
  10. 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-
  11. 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-
  12. 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)
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