小分子和化合物库

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显示第169180个,产品总数14,326

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  1. 五味子乙素
    CAS号: 61281-37-6        Compound CID : 108130
    分子式: C23H28O6        分子量: 400.4648
    IUPAC Name: 3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaene
    SMILES: CC1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4CC1C)OC)OC)OC)OC)OCO3
    InChIKey: RTZKSTLPRTWFEV-UHFFFAOYSA-N
    InChI: 1S/C23H28O6/c1-12-7-14-9-16(24-3)20(25-4)22(26-5)18(14)19-15(8-13(12)2)10-17-21(23(19)27-6)29-11-28-17/h9-10,12-13H,7-8,11H2,1-6H3
  2. 黑芥子硫苷酸钾水合物
    CAS号: 3952-98-5        Compound CID : 23682211
    分子式: C10H16NO9S2·K·xH2O        分子量: 397.46 (anhydrous basis)
    IUPAC Name: potassium;[(E)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylbut-3-enylideneamino] sulfate
    SMILES: C=CCC(=NOS(=O)(=O)[O-])SC1C(C(C(C(O1)CO)O)O)O.[K+]
    InChIKey: QKFAFSGJTMHRRY-OCFLFPRFSA-M
    InChI: 1S/C10H17NO9S2.K/c1-2-3-6(11-20-22(16,17)18)21-10-9(15)8(14)7(13)5(4-12)19-10;/h2,5,7-10,12-15H,1,3-4H2,(H,16,17,18);/q;+1/p-1/b11-6+;/t5-,7-,8+,9-,10+;/m1./s1
  3. 沙甲胺醇
      规格或纯度 :
    • ≥98%
    • mixture of isomers
    CAS号: 18910-65-1        Compound CID : 86805
    分子式: C19H25NO4        分子量: 331.42
    IUPAC Name: 4-[1-hydroxy-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]-2-(hydroxymethyl)phenol
    SMILES: CC(CC1=CC=C(C=C1)OC)NCC(C2=CC(=C(C=C2)O)CO)O
    InChIKey: VPMWDFRZSIMDKW-UHFFFAOYSA-N
    InChI: 1S/C19H25NO4/c1-13(9-14-3-6-17(24-2)7-4-14)20-11-19(23)15-5-8-18(22)16(10-15)12-21/h3-8,10,13,19-23H,9,11-12H2,1-2H3
  4. Salubrinal,eIF2α去磷酸化抑制剂
      规格或纯度 :
    • ≥98%
    CAS号: 405060-95-9        Compound CID : 5717801
    分子式: C21H17Cl3N4OS        分子量: 479.81
    IUPAC Name: (E)-3-phenyl-N-[2,2,2-trichloro-1-(quinolin-8-ylcarbamothioylamino)ethyl]prop-2-enamide
    SMILES: C1=CC=C(C=C1)C=CC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=CC3=C2N=CC=C3
    InChIKey: LCOIAYJMPKXARU-VAWYXSNFSA-N
    InChI: 1S/C21H17Cl3N4OS/c22-21(23,24)19(27-17(29)12-11-14-6-2-1-3-7-14)28-20(30)26-16-10-4-8-15-9-5-13-25-18(15)16/h1-13,19H,(H,27,29)(H2,26,28,30)/b12-11+
  5. SRPIN340,SRPK1抑制剂
      规格或纯度 :
    • ≥98%
    CAS号: 218156-96-8        Compound CID : 2797577
    分子式: C18H18F3N3O        分子量: 349.35
    IUPAC Name: N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
    SMILES: C1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)NC(=O)C3=CC=NC=C3
    InChIKey: DWFGGOFPIISJIT-UHFFFAOYSA-N
    InChI: 1S/C18H18F3N3O/c19-18(20,21)14-4-5-16(24-10-2-1-3-11-24)15(12-14)23-17(25)13-6-8-22-9-7-13/h4-9,12H,1-3,10-11H2,(H,23,25)
  6. SR1078,RORα/γ激动剂
      规格或纯度 :
    • ≥98%
    CAS号: 1246525-60-9        Compound CID : 17980288
    分子式: C17H10F9NO2        分子量: 431.25
    IUPAC Name: N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-4-(trifluoromethyl)benzamide
    SMILES: C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O)C(F)(F)F
    InChIKey: DUXWIYXHHGNUJU-UHFFFAOYSA-N
    InChI: 1S/C17H10F9NO2/c18-15(19,20)11-3-1-9(2-4-11)13(28)27-12-7-5-10(6-8-12)14(29,16(21,22)23)17(24,25)26/h1-8,29H,(H,27,28)
  7. SAR131675
      规格或纯度 :
    • ≥98%
    CAS号: 1433953-83-3        Compound CID : 71295845
    分子式: C18H22N4O4        分子量: 358.39
    IUPAC Name: 2-amino-1-ethyl-7-[(3R)-3-hydroxy-4-methoxy-3-methylbut-1-ynyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
    SMILES: CCN1C(=C(C(=O)C2=C1N=C(C=C2)C#CC(C)(COC)O)C(=O)NC)N
    InChIKey: PFMPOBVAYMTUOX-GOSISDBHSA-N
    InChI: 1S/C18H22N4O4/c1-5-22-15(19)13(17(24)20-3)14(23)12-7-6-11(21-16(12)22)8-9-18(2,25)10-26-4/h6-7,25H,5,10,19H2,1-4H3,(H,20,24)/t18-/m1/s1
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