小分子和化合物库

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显示第112个,产品总数5,722

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  1. 人血管紧张素 I 乙酸盐 水合物
      规格或纯度 :
    • ≥97%
    CAS号: 70937-97-2        Compound CID : 129893887
    分子式: C62H89N17O14·xC2H4O2·yH2O        分子量: 1296.48 (anhydrous,free base)
    IUPAC Name: acetic acid;(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]aminoSee more
    SMILES: CCC(C)C(C(=O)NC(CC1=CN=CN1)C(=O)N2CCCC2C(=O)NC(CC3=CC=CC=C3)C(=O)NC(CC4=CN=CN4)C(=O)NC(CC(C)C)C(=O)O)NC(=O)C(CC5=CC=C(C=C5)O)NC(=O)C(C(C)C)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(=O)O)N.CC(=O)O.O
    InChIKey: GQMWNZUFNXZMDE-TYQYNJATSA-N
    InChI: 1S/C62H89N17O14.C2H4O2.H2O/c1-7-35(6)51(78-56(87)44(25-37-17-19-40(80)20-18-37)74-58(89)50(34(4)5)77-53(84)42(15-11-21-68-62(64)65)71-52(83)41(63)28-49(81)82)59(90)75-46(27-39-30-67-32-70-39)60(91)79-See more
  2. 阿法替尼
      规格或纯度 :
    • ≥95%
    CAS号: 439081-18-2
    分子式: C24H25ClFN5O3        分子量: 485.94
    IUPAC Name: (E)-N-[4-(3-chloro-4-fluoroanilino)-7-[(3S)-oxolan-3-yl]oxyquinazolin-6-yl]-4-(dimethylamino)but-2-enamide
    SMILES: CN(C)CC=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OC4CCOC4
    InChIKey: ULXXDDBFHOBEHA-CWDCEQMOSA-N
    InChI: 1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1
  3. AEE788 (NVP-AEE788),EGFR和VEGFR抑制剂
      规格或纯度 :
    • ≥97%
    CAS号: 497839-62-0
    分子式: C27H32N6        分子量: 440.58
    IUPAC Name: 6-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-N-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
    SMILES: CCN1CCN(CC1)CC2=CC=C(C=C2)C3=CC4=C(N3)N=CN=C4NC(C)C5=CC=CC=C5
    InChIKey: OONFNUWBHFSNBT-HXUWFJFHSA-N
    InChI: 1S/C27H32N6/c1-3-32-13-15-33(16-14-32)18-21-9-11-23(12-10-21)25-17-24-26(28-19-29-27(24)31-25)30-20(2)22-7-5-4-6-8-22/h4-12,17,19-20H,3,13-16,18H2,1-2H3,(H2,28,29,30,31)/t20-/m1/s1
  4. LY310762,5-HT1拮抗剂
      规格或纯度 :
    • ≥95%
    CAS号: 192927-92-7
    分子式: C24H27FN2O2·HCl        分子量: 430.94
    IUPAC Name: 1-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-3,3-dimethylindol-2-one;hydrochloride
    SMILES: CC1(C2=CC=CC=C2N(C1=O)CCN3CCC(CC3)C(=O)C4=CC=C(C=C4)F)C.Cl
    InChIKey: BOCLFQZPFYNVFD-UHFFFAOYSA-N
    InChI: 1S/C24H27FN2O2.ClH/c1-24(2)20-5-3-4-6-21(20)27(23(24)29)16-15-26-13-11-18(12-14-26)22(28)17-7-9-19(25)10-8-17;/h3-10,18H,11-16H2,1-2H3;1H
  5. 3,3',5-三碘-L-甲状腺素钠
      规格或纯度 :
    • ≥97%
    CAS号: 55-06-1
    分子式: C15H11I3NNaO4        分子量: 672.96
    IUPAC Name: sodium;(2S)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoate
    SMILES: C1=CC(=C(C=C1OC2=C(C=C(C=C2I)CC(C(=O)[O-])N)I)I)O.[Na+]
    InChIKey: SBXXSUDPJJJJLC-YDALLXLXSA-M
    InChI: 1S/C15H12I3NO4.Na/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22;/h1-4,6,12,20H,5,19H2,(H,21,22);/q;+1/p-1/t12-;/m0./s1
  6. 胆酸甲酯
      规格或纯度 :
    • ≥97%
    CAS号: 1448-36-8
    分子式: C25H42O5        分子量: 422.61
    IUPAC Name: methyl (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
    SMILES: CC(CCC(=O)OC)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C
    InChIKey: DLYVTEULDNMQAR-SRNOMOOLSA-N
    InChI: 1S/C25H42O5/c1-14(5-8-22(29)30-4)17-6-7-18-23-19(13-21(28)25(17,18)3)24(2)10-9-16(26)11-15(24)12-20(23)27/h14-21,23,26-28H,5-13H2,1-4H3/t14-,15+,16-,17-,18+,19+,20-,21+,23+,24+,25-/m1/s1
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