小分子和化合物库

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显示第8596个,产品总数14,326

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  1. BGT226 (NVP-BGT226) maleate
      规格或纯度 :
    • ≥98%
    CAS号: 1245537-68-1
    分子式: C28H25F3N6O2.C4H4O4        分子量: 650.6
    IUPAC Name: (Z)-but-2-enedioic acid;8-(6-methoxypyridin-3-yl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one
    SMILES: CN1C2=CN=C3C=CC(=CC3=C2N(C1=O)C4=CC(=C(C=C4)N5CCNCC5)C(F)(F)F)C6=CN=C(C=C6)OC.C(=CC(=O)O)C(=O)O
    InChIKey: YUXMAKUNSXIEKN-BTJKTKAUSA-N
    InChI: 1S/C28H25F3N6O2.C4H4O4/c1-35-24-16-33-22-6-3-17(18-4-8-25(39-2)34-15-18)13-20(22)26(24)37(27(35)38)19-5-7-23(21(14-19)28(29,30)31)36-11-9-32-10-12-36;5-3(6)1-2-4(7)8/h3-8,13-16,32H,9-12H2,1-2H3;1-2H,(See more
  2. 去甲他达拉非
      规格或纯度 :
    • ≥98%
    CAS号: 171596-36-4
    分子式: C21H17N3O4        分子量: 375.38
    IUPAC Name: (2R,8R)-2-(1,3-benzodioxol-5-yl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione
    SMILES: C1C2C(=O)NCC(=O)N2C(C3=C1C4=CC=CC=C4N3)C5=CC6=C(C=C5)OCO6
    InChIKey: XHDLVMPUSXRZOS-FOIQADDNSA-N
    InChI: 1S/C21H17N3O4/c25-18-9-22-21(26)15-8-13-12-3-1-2-4-14(12)23-19(13)20(24(15)18)11-5-6-16-17(7-11)28-10-27-16/h1-7,15,20,23H,8-10H2,(H,22,26)/t15-,20-/m1/s1
  3. 水仙环素
      规格或纯度 :
    • ≥98%
    CAS号: 29477-83-6
    分子式: C14H13NO7        分子量: 307.26
    IUPAC Name: (2S,3R,4S,4aR)-2,3,4,7-tetrahydroxy-3,4,4a,5-tetrahydro-2H-[1,3]dioxolo[4,5-j]phenanthridin-6-one
    SMILES: C1OC2=C(O1)C(=C3C(=C2)C4=CC(C(C(C4NC3=O)O)O)O)O
    InChIKey: LZAZURSABQIKGB-AEKGRLRDSA-N
    InChI: 1S/C14H13NO7/c16-6-1-5-4-2-7-13(22-3-21-7)11(18)8(4)14(20)15-9(5)12(19)10(6)17/h1-2,6,9-10,12,16-19H,3H2,(H,15,20)/t6-,9+,10+,12-/m0/s1
  4. NVP-LCQ195,CDK杂环类抑制剂
      规格或纯度 :
    • ≥98%
    CAS号: 902156-99-4
    分子式: C17H19Cl2N5O4S        分子量: 460.33
    IUPAC Name: 4-[(2,6-dichlorobenzoyl)amino]-N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-5-carboxamide
    SMILES: CS(=O)(=O)N1CCC(CC1)NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl
    InChIKey: CCUXEBOOTMDSAM-UHFFFAOYSA-N
    InChI: 1S/C17H19Cl2N5O4S/c1-29(27,28)24-7-5-10(6-8-24)21-17(26)15-13(9-20-23-15)22-16(25)14-11(18)3-2-4-12(14)19/h2-4,9-10H,5-8H2,1H3,(H,20,23)(H,21,26)(H,22,25)
  5. Nutlin-3b
      规格或纯度 :
    • ≥98%
    CAS号: 675576-97-3
    分子式: C30H30Cl2N4O4        分子量: 581.49
    IUPAC Name: 4-[(4R,5S)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one
    SMILES: CC(C)OC1=C(C=CC(=C1)OC)C2=NC(C(N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl
    InChIKey: BDUHCSBCVGXTJM-IZLXSDGUSA-N
    InChI: 1S/C30H30Cl2N4O4/c1-18(2)40-25-16-23(39-3)12-13-24(25)29-34-27(19-4-8-21(31)9-5-19)28(20-6-10-22(32)11-7-20)36(29)30(38)35-15-14-33-26(37)17-35/h4-13,16,18,27-28H,14-15,17H2,1-3H3,(H,33,37)/t27-,28+/mSee more
  6. NSC 23766,Rac-1抑制剂
      规格或纯度 :
    • ≥98%
    CAS号: 1177865-17-6        Compound CID : 16759159
    分子式: C24H35N7·3HCl        分子量: 530.96
    IUPAC Name: 6-N-[2-[5-(diethylamino)pentan-2-ylamino]-6-methylpyrimidin-4-yl]-2-methylquinoline-4,6-diamine;trihydrochloride
    SMILES: CCN(CC)CCCC(C)NC1=NC(=CC(=N1)NC2=CC3=C(C=C(N=C3C=C2)C)N)C.Cl.Cl.Cl
    InChIKey: CPUHORIUXPQCHW-UHFFFAOYSA-N
    InChI: 1S/C24H35N7.3ClH/c1-6-31(7-2)12-8-9-16(3)27-24-28-18(5)14-23(30-24)29-19-10-11-22-20(15-19)21(25)13-17(4)26-22;;;/h10-11,13-16H,6-9,12H2,1-5H3,(H2,25,26)(H2,27,28,29,30);3*1H
  7. 炔诺酮
    CAS号: 68-22-4        EC号: 200-681-6
    分子式: C20H26O2        分子量: 298.42
    IUPAC Name: (8R,9S,10R,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
    SMILES: CC12CCC3C(C1CCC2(C#C)O)CCC4=CC(=O)CCC34
    InChIKey: VIKNJXKGJWUCNN-XGXHKTLJSA-N
    InChI: 1S/C20H26O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,12,15-18,22H,4-11H2,2H3/t15-,16+,17+,18-,19-,20-/m0/s1
  8. 盐酸尼卡地平
      规格或纯度 :
    • ≥98%
    CAS号: 54527-84-3        EC号: 259-198-4
    分子式: C26H29N3O6·HCl        分子量: 515.99
    IUPAC Name: 5-O-[2-[benzyl(methyl)amino]ethyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate;hydrochloride
    SMILES: CC1=C(C(C(=C(N1)C)C(=O)OCCN(C)CC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC.Cl
    InChIKey: AIKVCUNQWYTVTO-UHFFFAOYSA-N
    InChI: 1S/C26H29N3O6.ClH/c1-17-22(25(30)34-4)24(20-11-8-12-21(15-20)29(32)33)23(18(2)27-17)26(31)35-14-13-28(3)16-19-9-6-5-7-10-19;/h5-12,15,24,27H,13-14,16H2,1-4H3;1H
  9. Nutlin-3,MDM2拮抗剂
      规格或纯度 :
    • ≥98%
    CAS号: 548472-68-0
    分子式: C30H30Cl2N4O4        分子量: 581.49
    IUPAC Name: 4-[4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one
    SMILES: CC(C)OC1=C(C=CC(=C1)OC)C2=NC(C(N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl
    InChIKey: BDUHCSBCVGXTJM-UHFFFAOYSA-N
    InChI: 1S/C30H30Cl2N4O4/c1-18(2)40-25-16-23(39-3)12-13-24(25)29-34-27(19-4-8-21(31)9-5-19)28(20-6-10-22(32)11-7-20)36(29)30(38)35-15-14-33-26(37)17-35/h4-13,16,18,27-28H,14-15,17H2,1-3H3,(H,33,37)
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