小分子和化合物库

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  1. 西维来司钠
      规格或纯度 :
    • ≥98%(HPLC)
    CAS号: 150374-95-1        Compound CID : 23664980
    分子式: C20H21N2NaO7S        分子量: 456.44
    IUPAC Name: sodium;2-[[2-[[4-(2,2-dimethylpropanoyloxy)phenyl]sulfonylamino]benzoyl]amino]acetate
    SMILES: CC(C)(C)C(=O)OC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)NCC(=O)[O-].[Na+]
    InChIKey: ZAIFANJZUGNYCK-UHFFFAOYSA-M
    InChI: 1S/C20H22N2O7S.Na/c1-20(2,3)19(26)29-13-8-10-14(11-9-13)30(27,28)22-16-7-5-4-6-15(16)18(25)21-12-17(23)24;/h4-11,22H,12H2,1-3H3,(H,21,25)(H,23,24);/q;+1/p-1
  2. SIB 1508Y马来酸盐
      规格或纯度 :
    • ≥98%(HPLC)
    CAS号: 192231-16-6        Compound CID : 11954277
    分子式: C12H14N2.C4H4O4        分子量: 302.33
    IUPAC Name: (Z)-but-2-enedioic acid;3-ethynyl-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine
    SMILES: CN1CCCC1C2=CN=CC(=C2)C#C.C(=CC(=O)O)C(=O)O
    InChIKey: BCPPKHPWLRPWBJ-OURKGEEVSA-N
    InChI: 1S/C12H14N2.C4H4O4/c1-3-10-7-11(9-13-8-10)12-5-4-6-14(12)2;5-3(6)1-2-4(7)8/h1,7-9,12H,4-6H2,2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t12-;/m0./s1
  3. SGS 518 草酸盐
      规格或纯度 :
    • ≥98%(HPLC)
    CAS号: 445441-27-0        Compound CID : 71433764
    分子式: C21H22F2N2O3S.C2H2O4        分子量: 510.51
    IUPAC Name: [1-methyl-3-(1-methylpiperidin-4-yl)indol-5-yl] 2,6-difluorobenzenesulfonate;oxaldehydic acid
    SMILES: CN1CCC(CC1)C2=CN(C3=C2C=C(C=C3)OS(=O)(=O)C4=C(C=CC=C4F)F)C.C(=O)C(=O)O
    InChIKey: QFZRGMRDHHDVBY-UHFFFAOYSA-N
    InChI: 1S/C21H22F2N2O3S.C2H2O3/c1-24-10-8-14(9-11-24)17-13-25(2)20-7-6-15(12-16(17)20)28-29(26,27)21-18(22)4-3-5-19(21)23;3-1-2(4)5/h3-7,12-14H,8-11H2,1-2H3;1H,(H,4,5)
  4. SDZ NKT 343,人类NK1拮抗剂
      规格或纯度 :
    • ≥98%(HPLC)
    CAS号: 180046-99-5        Compound CID : 9851211
    分子式: C33H33N5O5        分子量: 579.65
    IUPAC Name: (2S)-2-N-[(2S)-1-[benzyl(methyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-N-(2-nitrophenyl)pyrrolidine-1,2-dicarboxamide
    SMILES: CN(CC1=CC=CC=C1)C(=O)C(CC2=CC3=CC=CC=C3C=C2)NC(=O)C4CCCN4C(=O)NC5=CC=CC=C5[N+](=O)[O-]
    InChIKey: PCVSIMQAFWRUEC-JDXGNMNLSA-N
    InChI: 1S/C33H33N5O5/c1-36(22-23-10-3-2-4-11-23)32(40)28(21-24-17-18-25-12-5-6-13-26(25)20-24)34-31(39)30-16-9-19-37(30)33(41)35-27-14-7-8-15-29(27)38(42)43/h2-8,10-15,17-18,20,28,30H,9,16,19,21-22H2,1H3,(H,See more
  5. SDZ 220-581,竞争性NMDA拮抗剂
      规格或纯度 :
    • ≥98%(HPLC)
    CAS号: 174575-17-8        Compound CID : 128019
    分子式: C16H17ClNO5P        分子量: 369.74
    IUPAC Name: (2S)-2-amino-3-[3-(2-chlorophenyl)-5-(phosphonomethyl)phenyl]propanoic acid
    SMILES: C1=CC=C(C(=C1)C2=CC(=CC(=C2)CP(=O)(O)O)CC(C(=O)O)N)Cl
    InChIKey: VBRJFXSFCYEZMQ-HNNXBMFYSA-N
    InChI: 1S/C16H17ClNO5P/c17-14-4-2-1-3-13(14)12-6-10(8-15(18)16(19)20)5-11(7-12)9-24(21,22)23/h1-7,15H,8-9,18H2,(H,19,20)(H2,21,22,23)/t15-/m0/s1
  6. SC 144 盐酸盐
      规格或纯度 :
    • ≥98%(HPLC)
    CAS号: 917497-70-2        Compound CID : 66921431
    分子式: C16H11FN6O•HCl        分子量: 358.76
    IUPAC Name: N'-(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)pyrazine-2-carbohydrazide;hydrochloride
    SMILES: C1=CN2C3=C(C=C(C=C3)F)N=C(C2=C1)NNC(=O)C4=NC=CN=C4.Cl
    InChIKey: LKFGGXYXFIICED-UHFFFAOYSA-N
    InChI: 1S/C16H11FN6O.ClH/c17-10-3-4-13-11(8-10)20-15(14-2-1-7-23(13)14)21-22-16(24)12-9-18-5-6-19-12;/h1-9H,(H,20,21)(H,22,24);1H
  7. SCH 529074,恢复突变体p53活性
      规格或纯度 :
    • ≥98%(HPLC)
    CAS号: 922150-11-6        Compound CID : 12001922
    分子式: C31H36Cl2N6        分子量: 563.56
    IUPAC Name: N-[2-[[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]methyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine
    SMILES: CN(C)CCCNC1=NC(=NC2=CC=CC=C21)CN3CCN(CC3)C(C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl
    InChIKey: NCAJLQDPTZBGJV-UHFFFAOYSA-N
    InChI: 1S/C31H36Cl2N6/c1-37(2)17-5-16-34-31-27-6-3-4-7-28(27)35-29(36-31)22-38-18-20-39(21-19-38)30(23-8-12-25(32)13-9-23)24-10-14-26(33)15-11-24/h3-4,6-15,30H,5,16-22H2,1-2H3,(H,34,35,36)
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