小分子和化合物库

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显示第112个,产品总数77

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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. D-赤型鞘氨醇
    CAS号 : 123-78-4        Compound CID : 5280335
    分子式: C18H37NO2        分子量: 299.492
    IUPAC Name: (E,2S,3R)-2-aminooctadec-4-ene-1,3-diol
    SMILES: CCCCCCCCCCCCCC=CC(C(CO)N)O
    InChIKey: WWUZIQQURGPMPG-KRWOKUGFSA-N
    InChI: InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h14-15,17-18,20-21H,2-13,16,19H2,1H3/b15-14+/t17-,18+/m0/s1
  5. 2-(2,6-二氯苯氨基)苯乙酸
    CAS号 : 15307-86-5       
    分子式: C14H11Cl2NO2        分子量: 296.15
    IUPAC Name: 2-[2-(2,6-dichloroanilino)phenyl]acetic acid
    SMILES: C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC=C2Cl)Cl
    InChIKey: DCOPUUMXTXDBNB-UHFFFAOYSA-N
    InChI: InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)
  6. 异樱红素
    CAS号 : 480-43-3        Compound CID : 160481
    分子式: C16H14O5        分子量: 286.28
    IUPAC Name: (2S)-5,7-dihydroxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
    SMILES: COC1=CC=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)O)O
    InChIKey: HMUJXQRRKBLVOO-AWEZNQCLSA-N
    InChI: InChI=1S/C16H14O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1
  7. 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
  8. 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
  9. 二苯基硼酸-2-氨基乙酯
    CAS号 : 524-95-8        Compound CID : 1598
    分子式: C14H16BNO        分子量: 225.09
    IUPAC Name: 2-diphenylboranyloxyethanamine
    SMILES: B(C1=CC=CC=C1)(C2=CC=CC=C2)OCCN
    InChIKey: BLZVCIGGICSWIG-UHFFFAOYSA-N
    InChI: InChI=1S/C14H16BNO/c16-11-12-17-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12,16H2
  10. 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-
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