小分子和化合物库

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显示第112个,产品总数188

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  1. 茶苯海明
      规格或纯度 :
    • ≥97%
    CAS号 : 523-87-5        Compound CID : 10660
    分子式: C17H21NO · C7H7ClN4O2        分子量: 469.96
    IUPAC Name: 2-benzhydryloxy-N,N-dimethylethanamine;8-chloro-1,3-dimethyl-7H-purine-2,6-dione
    SMILES: CN1C2=C(C(=O)N(C1=O)C)NC(=N2)Cl.CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2
    InChIKey: NFLLKCVHYJRNRH-UHFFFAOYSA-N
    InChI: InChI=1S/C17H21NO.C7H7ClN4O2/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16;1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h3-12,17H,13-14H2,1-2H3;1-2H3,(H,9,10)
  2. VU 0467485,M4受体的正变构调节剂
      规格或纯度 :
    • ≥98%(HPLC)
    CAS号 : 1451994-10-7        Compound CID : 89777239
    分子式: C17H17FN4O2S        分子量: 360.41
    IUPAC Name: 5-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
    SMILES: CC1=C(N=NC2=C1C(=C(S2)C(=O)NCC3=CC(=C(C=C3)OC)F)N)C
    InChIKey: VFNHDIWHQGVWLL-UHFFFAOYSA-N
    InChI: InChI=1S/C17H17FN4O2S/c1-8-9(2)21-22-17-13(8)14(19)15(25-17)16(23)20-7-10-4-5-12(24-3)11(18)6-10/h4-6H,7,19H2,1-3H3,(H,20,23)
  3. TC OT 39,非肽催产素受体部分激动剂
      规格或纯度 :
    • ≥97%(HPLC)
    CAS号 : 479232-57-0        Compound CID : 135413563
    分子式: C32H40N8O2S        分子量: 600.78
    IUPAC Name: (2S)-2-(4-methyl-1,4-diazepane-1-carbothioyl)-N-[[2-methyl-4-(1-methyl-4,10-dihydropyrazolo[4,3-c][1,5]benzodiazepine-5-carbonyl)phenyl]methyl]pyrrolidine-1-carboxamide
    SMILES: CC1=C(C=CC(=C1)C(=O)N2CC3=C(NC4=CC=CC=C42)N(N=C3)C)CNC(=O)N5CCCC5C(=S)N6CCCN(CC6)C
    InChIKey: KSNHHKZYKYNBEI-NDEPHWFRSA-N
    InChI: InChI=1S/C32H40N8O2S/c1-22-18-23(30(41)40-21-25-20-34-37(3)29(25)35-26-8-4-5-9-27(26)40)11-12-24(22)19-33-32(42)39-15-6-10-28(39)31(43)38-14-7-13-36(2)16-17-38/h4-5,8-9,11-12,18,20,28,35H,6-7,10,13-17,19,21H2,1-3H3,(H,33,42)/t28-/m0/s1
  4. D,L-三苯甲基盐酸盐
    CAS号 : 58947-95-8        Compound CID : 66007
    分子式: C20H32ClNO        分子量: 337.93
    IUPAC Name: 1-cyclohexyl-1-phenyl-3-piperidin-1-ylpropan-1-ol;hydrochloride
    SMILES: C1CCC(CC1)C(CCN2CCCCC2)(C3=CC=CC=C3)O.Cl
    InChIKey: QDWJJTJNXAKQKD-UHFFFAOYSA-N
    InChI: InChI=1S/C20H31NO.ClH/c22-20(18-10-4-1-5-11-18,19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21;/h1,4-5,10-11,19,22H,2-3,6-9,12-17H2;1H
  5. 阿地溴铵
      规格或纯度 :
    • ≥99%
    CAS号 : 320345-99-1        Compound CID : 11519741
    分子式: C26H30BrNO4S2        分子量: 564.57
    IUPAC Name: [(3R)-1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate;bromide
    SMILES: C1C[N+]2(CCC1C(C2)OC(=O)C(C3=CC=CS3)(C4=CC=CS4)O)CCCOC5=CC=CC=C5.[Br-]
    InChIKey: XLAKJQPTOJHYDR-QTQXQZBYSA-M
    InChI: InChI=1S/C26H30NO4S2.BrH/c28-25(26(29,23-9-4-17-32-23)24-10-5-18-33-24)31-22-19-27(14-11-20(22)12-15-27)13-6-16-30-21-7-2-1-3-8-21;/h1-5,7-10,17-18,20,22,29H,6,11-16,19H2;1H/q+1;/p-1/t20?,22-,27?;/m0./s1
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