小分子和化合物库

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  1. 盐酸法屈唑 半水合物
      规格或纯度 :
    • ≥98%(HPLC)(T)
    CAS号: 176702-70-8        Compound CID : 11954367
    分子式: C₁₄H₁₃N₃•HCl•1/2H₂O        分子量: 268.75
    IUPAC Name: 4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzonitrile;hydrate;dihydrochloride
    SMILES: C1CC(N2C=NC=C2C1)C3=CC=C(C=C3)C#N.C1CC(N2C=NC=C2C1)C3=CC=C(C=C3)C#N.O.Cl.Cl
    InChIKey: RBNOZCGLHXZRLF-UHFFFAOYSA-N
    InChI: 1S/2C14H13N3.2ClH.H2O/c2*15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14;;;/h2*4-7,9-10,14H,1-3H2;2*1H;1H2
  2. 乙酰辅酶 A 锂盐
      规格或纯度 :
    • ≥83%(Enzymatic)
    CAS号: 32140-51-5
    分子式: C23H38N7O17P3S · xLi+        分子量: 809.57 (free acid basis)
    IUPAC Name: trilithium;[(2R,3S,4R,5R)-2-[[[[(3R)-4-[[3-(2-acetylsulfanylethylamino)-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hySee more
    SMILES: [Li+].[Li+].[Li+].CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)[O-])O
    InChIKey: FTRFBNATWBKIQU-JHJDYNLLSA-K
    InChI: 1S/C23H38N7O17P3S.3Li/c1-12(31)51-7-6-25-14(32)4-5-26-21(35)18(34)23(2,3)9-44-50(41,42)47-49(39,40)43-8-13-17(46-48(36,37)38)16(33)22(45-13)30-11-29-15-19(24)27-10-28-20(15)30;;;/h10-11,13,16-18,22,33See more
  3. 阿利马嗪酒石酸盐
      规格或纯度 :
    • ≥98%(HPLC)(T)
    CAS号: 4330-99-8
    分子式: C36H44N4S2·C4H6O6        分子量: 746.98
    IUPAC Name: (2R,3R)-2,3-dihydroxybutanedioic acid;N,N,2-trimethyl-3-phenothiazin-10-ylpropan-1-amine
    SMILES: CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)CN(C)C.CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)CN(C)C.C(C(C(=O)O)O)(C(=O)O)O
    InChIKey: AJZJIYUOOJLBAU-CEAXSRTFSA-N
    InChI: 1S/2C18H22N2S.C4H6O6/c2*1-14(12-19(2)3)13-20-15-8-4-6-10-17(15)21-18-11-7-5-9-16(18)20;5-1(3(7)8)2(6)4(9)10/h2*4-11,14H,12-13H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)/t;;1-,2-/m..1/s1
  4. 咪多卡二丙酸盐
      规格或纯度 :
    • ≥98%(HPLC)(T)
    CAS号: 55750-06-6
    分子式: C19H20N6O·2C3H6O2        分子量: 496.57
    IUPAC Name: 1,3-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea;propanoic acid
    SMILES: CCC(=O)O.CCC(=O)O.C1CN=C(N1)C2=CC(=CC=C2)NC(=O)NC3=CC=CC(=C3)C4=NCCN4
    InChIKey: AFGQXWSHYUHHNV-UHFFFAOYSA-N
    InChI: 1S/C19H20N6O.2C3H6O2/c26-19(24-15-5-1-3-13(11-15)17-20-7-8-21-17)25-16-6-2-4-14(12-16)18-22-9-10-23-18;2*1-2-3(4)5/h1-6,11-12H,7-10H2,(H,20,21)(H,22,23)(H2,24,25,26);2*2H2,1H3,(H,4,5)
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