小分子和化合物库

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显示第112个,产品总数83

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  1. 甘油单油酸酯
      规格或纯度 :
    • ≥90%
    CAS号 : 25496-72-4        Compound CID : 5283468
    分子式: C21H40O4        分子量: 356.54
    IUPAC Name: 2,3-dihydroxypropyl (Z)-octadec-9-enoate
    SMILES: CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)O
    InChIKey: RZRNAYUHWVFMIP-KTKRTIGZSA-N
    InChI: InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9-
  2. APD668
    CAS号 : 832714-46-2        Compound CID : 11705608
    分子式: C21H24FN5O5S        分子量: 477.51
    IUPAC Name: propan-2-yl 4-[1-(2-fluoro-4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylate
    SMILES: CC(C)OC(=O)N1CCC(CC1)OC2=NC=NC3=C2C=NN3C4=C(C=C(C=C4)S(=O)(=O)C)F
    InChIKey: XTRUQJBVQBUKSQ-UHFFFAOYSA-N
    InChI: InChI=1S/C21H24FN5O5S/c1-13(2)31-21(28)26-8-6-14(7-9-26)32-20-16-11-25-27(19(16)23-12-24-20)18-5-4-15(10-17(18)22)33(3,29)30/h4-5,10-14H,6-9H2,1-3H3
  3. APD597
    CAS号 : 897732-93-3        Compound CID : 11691484
    分子式: C21H29N5O6S        分子量: 479.55
    IUPAC Name: propan-2-yl 4-[5-methoxy-6-[(2-methyl-6-methylsulfonylpyridin-3-yl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate
    SMILES: CC1=C(C=CC(=N1)S(=O)(=O)C)NC2=C(C(=NC=N2)OC3CCN(CC3)C(=O)OC(C)C)OC
    InChIKey: WPDCHTSXOPUOII-UHFFFAOYSA-N
    InChI: InChI=1S/C21H29N5O6S/c1-13(2)31-21(27)26-10-8-15(9-11-26)32-20-18(30-4)19(22-12-23-20)25-16-6-7-17(24-14(16)3)33(5,28)29/h6-7,12-13,15H,8-11H2,1-5H3,(H,22,23,25)
  4. GSK1292263
      规格或纯度 :
    • ≥98%
    CAS号 : 1032823-75-8        Compound CID : 24996872
    分子式: C23H28N4O4S        分子量: 456.56
    IUPAC Name: 5-[4-[[6-(4-methylsulfonylphenyl)pyridin-3-yl]oxymethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
    SMILES: CC(C)C1=NOC(=N1)N2CCC(CC2)COC3=CN=C(C=C3)C4=CC=C(C=C4)S(=O)(=O)C
    InChIKey: AYJRTVVIBJSSKN-UHFFFAOYSA-N
    InChI: InChI=1S/C23H28N4O4S/c1-16(2)22-25-23(31-26-22)27-12-10-17(11-13-27)15-30-19-6-9-21(24-14-19)18-4-7-20(8-5-18)32(3,28)29/h4-9,14,16-17H,10-13,15H2,1-3H3
  5. 1-(3-Isopropyl-1,2,4-oxadiazol-5-YL)piperidin-4-OL
    CAS号 : 832714-37-1        Compound CID : 21897744
    分子式: C10H17N3O2        分子量: 211.26
    IUPAC Name: 1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-ol
    SMILES: CC(C)C1=NOC(=N1)N2CCC(CC2)O
    InChIKey: SNAOGTUJDXPNEK-UHFFFAOYSA-N
    InChI: InChI=1S/C10H17N3O2/c1-7(2)9-11-10(15-12-9)13-5-3-8(14)4-6-13/h7-8,14H,3-6H2,1-2H3
  6. 甘油单油酸酯
    CAS号 : 111-03-5       
    分子式: C21H40O4        分子量: 356.54
    IUPAC Name: 2,3-dihydroxypropyl (Z)-octadec-9-enoate
    SMILES: CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)O
    InChIKey: RZRNAYUHWVFMIP-KTKRTIGZSA-N
    InChI: InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9-
  7. 甘油单油酸酯
    CAS号 : 111-03-5       
    分子式: C21H40O4        分子量: 356.54
    IUPAC Name: 2,3-dihydroxypropyl (Z)-octadec-9-enoate
    SMILES: CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)O
    InChIKey: RZRNAYUHWVFMIP-KTKRTIGZSA-N
    InChI: InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9-
  8. MBX-2982
    CAS号 : 1037792-44-1        Compound CID : 25025505
    分子式: C22H24N8OS        分子量: 448.54
    IUPAC Name: 2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole
    SMILES: CCC1=CN=C(N=C1)N2CCC(CC2)C3=NC(=CS3)COC4=CC=C(C=C4)N5C=NN=N5
    InChIKey: NFTMKHWBOINJGM-UHFFFAOYSA-N
    InChI: InChI=1S/C22H24N8OS/c1-2-16-11-23-22(24-12-16)29-9-7-17(8-10-29)21-26-18(14-32-21)13-31-20-5-3-19(4-6-20)30-15-25-27-28-30/h3-6,11-12,14-15,17H,2,7-10,13H2,1H3
  9. 十六酰胺乙醇
    CAS号 : 544-31-0        Compound CID : 4671
    分子式: C18H37NO2        分子量: 299.492
    IUPAC Name: N-(2-hydroxyethyl)hexadecanamide
    SMILES: CCCCCCCCCCCCCCCC(=O)NCCO
    InChIKey: HXYVTAGFYLMHSO-UHFFFAOYSA-N
    InChI: InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)19-16-17-20/h20H,2-17H2,1H3,(H,19,21)
  10. 1-油酰基-2-羟基-sn-甘油-3-磷酸胆碱
    CAS号 : 19420-56-5       
    分子式: C26H52NO7P        分子量: 521.67
    IUPAC Name: [(2R)-2-hydroxy-3-[(Z)-octadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
    SMILES: CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)O
    InChIKey: YAMUFBLWGFFICM-PTGWMXDISA-N
    InChI: InChI=1S/C26H52NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h12-13,25,28H,5-11,14-24H2,1-4H3/b13-12-/t25-/m1/s1
  11. 1-棕榈酰-sn-甘油-3-磷酸胆碱
    CAS号 : 17364-16-8       
    分子式: C24H50NO7P        分子量: 495.63
    IUPAC Name: [(2R)-3-hexadecanoyloxy-2-hydroxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
    SMILES: CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)O
    InChIKey: ASWBNKHCZGQVJV-HSZRJFAPSA-N
    InChI: InChI=1S/C24H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(27)30-21-23(26)22-32-33(28,29)31-20-19-25(2,3)4/h23,26H,5-22H2,1-4H3/t23-/m1/s1
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