小分子和化合物库

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显示第112个,产品总数212

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  1. 喹夫拉朋
      规格或纯度 :
    • ≥98%
    CAS号 : 136668-42-3        Compound CID : 60923
    分子式: C34H35ClN2O3S        分子量: 587.17
    IUPAC Name: 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-(quinolin-2-ylmethoxy)indol-2-yl]-2,2-dimethylpropanoic acid
    SMILES: CC(C)(C)SC1=C(N(C2=C1C=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)CC5=CC=C(C=C5)Cl)CC(C)(C)C(=O)O
    InChIKey: NZOONKHCNQFYCI-UHFFFAOYSA-N
    InChI: InChI=1S/C34H35ClN2O3S/c1-33(2,3)41-31-27-18-26(40-21-25-15-12-23-8-6-7-9-28(23)36-25)16-17-29(27)37(20-22-10-13-24(35)14-11-22)30(31)19-34(4,5)32(38)39/h6-18H,19-21H2,1-5H3,(H,38,39)
  2. 硫酸奎尼丁
      规格或纯度 :
    • ≥98%
    CAS号 : 6591-63-5        Compound CID : 656862
    分子式: C40H48N4O4.H2SO4.2H2O        分子量: 782.94
    IUPAC Name: (S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;sulfuric acid;dihydrate
    SMILES: COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.O.O.OS(=O)(=O)O
    InChIKey: ZHNFLHYOFXQIOW-AHSOWCEXSA-N
    InChI: InChI=1S/2C20H24N2O2.H2O4S.2H2O/c2*1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;1-5(2,3)4;;/h2*3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;(H2,1,2,3,4);2*1H2/t2*13-,14-,19+,20-;;;/m00.../s1
  3. O-6-苄基鸟嘌呤
      规格或纯度 :
    • ≥98%
    CAS号 : 19916-73-5        Compound CID : 4578
    分子式: C12H11N5O        分子量: 241.25
    IUPAC Name: 6-phenylmethoxy-7H-purin-2-amine
    SMILES: C1=CC=C(C=C1)COC2=NC(=NC3=C2NC=N3)N
    InChIKey: KRWMERLEINMZFT-UHFFFAOYSA-N
    InChI: InChI=1S/C12H11N5O/c13-12-16-10-9(14-7-15-10)11(17-12)18-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H3,13,14,15,16,17)
  4. CCT128930,AKT2 抑制剂
      规格或纯度 :
    • ≥98%
    CAS号 : 885499-61-6        Compound CID : 17751819
    分子式: C18H20ClN5        分子量: 341.84
    IUPAC Name: 4-[(4-chlorophenyl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine
    SMILES: C1CN(CCC1(CC2=CC=C(C=C2)Cl)N)C3=NC=NC4=C3C=CN4
    InChIKey: RZIDZIGAXXNODG-UHFFFAOYSA-N
    InChI: InChI=1S/C18H20ClN5/c19-14-3-1-13(2-4-14)11-18(20)6-9-24(10-7-18)17-15-5-8-21-16(15)22-12-23-17/h1-5,8,12H,6-7,9-11,20H2,(H,21,22,23)
  5. 盐酸氯丙嗪(CPZ)
    CAS号 : 69-09-0        Compound CID : 6240
    分子式: C17H19ClN2S·HCl        分子量: 355.33
    IUPAC Name: 3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine;hydrochloride
    SMILES: CN(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl.Cl
    InChIKey: FBSMERQALIEGJT-UHFFFAOYSA-N
    InChI: InChI=1S/C17H19ClN2S.ClH/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20;/h3-4,6-9,12H,5,10-11H2,1-2H3;1H
  6. 苯甲地那铵
      规格或纯度 :
    • ≥98%
    CAS号 : 3734-33-6        Compound CID : 19518
    分子式: C21H29N2O·C7H5O2        分子量: 446.58
    IUPAC Name: benzyl-[2-(2,6-dimethylanilino)-2-oxoethyl]-diethylazanium;benzoate
    SMILES: CC[N+](CC)(CC1=CC=CC=C1)CC(=O)NC2=C(C=CC=C2C)C.C1=CC=C(C=C1)C(=O)[O-]
    InChIKey: VWTINHYPRWEBQY-UHFFFAOYSA-N
    InChI: InChI=1S/C21H28N2O.C7H6O2/c1-5-23(6-2,15-19-13-8-7-9-14-19)16-20(24)22-21-17(3)11-10-12-18(21)4;8-7(9)6-4-2-1-3-5-6/h7-14H,5-6,15-16H2,1-4H3;1-5H,(H,8,9)
  7. 芦竹碱
    CAS号 : 87-52-5        Compound CID : 6890
    分子式: C11H14N2        分子量: 174.24
    IUPAC Name: 1-(1H-indol-3-yl)-N,N-dimethylmethanamine
    SMILES: CN(C)CC1=CNC2=CC=CC=C21
    InChIKey: OCDGBSUVYYVKQZ-UHFFFAOYSA-N
    InChI: InChI=1S/C11H14N2/c1-13(2)8-9-7-12-11-6-4-3-5-10(9)11/h3-7,12H,8H2,1-2H3
  8. 芦竹碱
    CAS号 : 87-52-5        Compound CID : 6890
    分子式: C11H14N2        分子量: 174.24
    IUPAC Name: 1-(1H-indol-3-yl)-N,N-dimethylmethanamine
    SMILES: CN(C)CC1=CNC2=CC=CC=C21
    InChIKey: OCDGBSUVYYVKQZ-UHFFFAOYSA-N
    InChI: InChI=1S/C11H14N2/c1-13(2)8-9-7-12-11-6-4-3-5-10(9)11/h3-7,12H,8H2,1-2H3
  9. JNK-IN-7
      规格或纯度 :
    • ≥98%
    CAS号 : 1408064-71-0        Compound CID : 57340685
    分子式: C28H27N7O2        分子量: 493.56
    IUPAC Name: 3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
    SMILES: CN(C)CC=CC(=O)NC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)NC3=NC=CC(=N3)C4=CN=CC=C4
    InChIKey: RADRIIWGHYFWPP-WEVVVXLNSA-N
    InChI: InChI=1S/C28H27N7O2/c1-35(2)17-5-9-26(36)31-24-8-3-6-20(18-24)27(37)32-22-10-12-23(13-11-22)33-28-30-16-14-25(34-28)21-7-4-15-29-19-21/h3-16,18-19H,17H2,1-2H3,(H,31,36)(H,32,37)(H,30,33,34)/b9-5+
  10. 阿尔维林柠檬酸盐
      规格或纯度 :
    • ≥99%
    CAS号 : 5560-59-8        Compound CID : 21718
    分子式: C20H27N.C6H8O7        分子量: 473.56
    IUPAC Name: N-ethyl-3-phenyl-N-(3-phenylpropyl)propan-1-amine;2-hydroxypropane-1,2,3-tricarboxylic acid
    SMILES: CCN(CCCC1=CC=CC=C1)CCCC2=CC=CC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
    InChIKey: RYHCACJBKCOBTJ-UHFFFAOYSA-N
    InChI: InChI=1S/C20H27N.C6H8O7/c1-2-21(17-9-15-19-11-5-3-6-12-19)18-10-16-20-13-7-4-8-14-20;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-8,11-14H,2,9-10,15-18H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
  11. GMX1778,NF-κβ抑制剂
      规格或纯度 :
    • ≥98%(HPLC)
    CAS号 : 200484-11-3        Compound CID : 148198
    分子式: C19H22ClN5O        分子量: 371.86
    IUPAC Name: 2-[6-(4-chlorophenoxy)hexyl]-1-cyano-3-pyridin-4-ylguanidine
    SMILES: C1=CC(=CC=C1OCCCCCCN=C(NC#N)NC2=CC=NC=C2)Cl
    InChIKey: BOIPLTNGIAPDBY-UHFFFAOYSA-N
    InChI: InChI=1S/C19H22ClN5O/c20-16-5-7-18(8-6-16)26-14-4-2-1-3-11-23-19(24-15-21)25-17-9-12-22-13-10-17/h5-10,12-13H,1-4,11,14H2,(H2,22,23,24,25)
  12. AG 825,ErbB2抑制剂
      规格或纯度 :
    • ≥96%
    CAS号 : 149092-50-2        Compound CID : 6091659
    分子式: C19H15N3O3S2        分子量: 397.47
    IUPAC Name: (E)-3-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-hydroxy-5-methoxyphenyl]-2-cyanoprop-2-enamide
    SMILES: COC1=CC(=CC(=C1O)CSC2=NC3=CC=CC=C3S2)C=C(C#N)C(=O)N
    InChIKey: KXDONFLNGBQLTN-WUXMJOGZSA-N
    InChI: InChI=1S/C19H15N3O3S2/c1-25-15-8-11(6-12(9-20)18(21)24)7-13(17(15)23)10-26-19-22-14-4-2-3-5-16(14)27-19/h2-8,23H,10H2,1H3,(H2,21,24)/b12-6+
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