小分子和化合物库

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  1. 多尼曲坦单盐酸盐
      规格或纯度 :
    • ≥98%(HPLC)
    CAS号: 170911-68-9
    分子式: C23H25N5O2 · HCl        分子量: 439.94
    IUPAC Name: 4-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperazin-1-yl]benzonitrile;hydrochloride
    SMILES: C1CN(CCN1C2=CC=C(C=C2)C#N)C(=O)COC3=CC4=C(C=C3)NC=C4CCN.Cl
    InChIKey: ZXENQGQAPOYDOJ-UHFFFAOYSA-N
    InChI: 1S/C23H25N5O2.ClH/c24-8-7-18-15-26-22-6-5-20(13-21(18)22)30-16-23(29)28-11-9-27(10-12-28)19-3-1-17(14-25)2-4-19;/h1-6,13,15,26H,7-12,16,24H2;1H
  2. 洋蓟素
      规格或纯度 :
    • ≥98%(HPLC)
    CAS号: 30964-13-7        Compound CID : 5281769
    分子式: C25H24O12        分子量: 516.45
    IUPAC Name: (1R,3R,4S,5R)-1,3-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-4,5-dihydroxycyclohexane-1-carboxylic acid
    SMILES: O[C@@H]1C[C@](C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@H]1O)(OC(=O)\C=C\c3ccc(O)c(O)c3)C(O)=O
    InChIKey: YDDUMTOHNYZQPO-RVXRWRFUSA-N
    InChI: 1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(24(34)35,11-19(30)23(20)33)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,33H,11-12H2,(H,34,35)/b7-3+,8-4+/t19-,20-,23+,25-/m1/sSee more
  3. 二氢细胞松弛素 B
      规格或纯度 :
    • ≥98%(HPLC)
    CAS号: 39156-67-7        EC号: 254-324-4
    分子式: C29H39NO5        分子量: 481.62
    IUPAC Name: (1S,6R,10R,12E,14S,15S,17S,18S,19S)-19-benzyl-6,15-dihydroxy-10,17-dimethyl-16-methylidene-2-oxa-20-azatricyclo[12.7.0.01,18]henicos-12-ene-3,21-dione
    SMILES: CC1CCCC(CCC(=O)OC23C(C=CC1)C(C(=C)C(C2C(NC3=O)CC4=CC=CC=C4)C)O)O
    InChIKey: WIULKAASLBZREV-RXPQEOCGSA-N
    InChI: 1S/C29H39NO5/c1-18-9-7-13-22(31)15-16-25(32)35-29-23(14-8-10-18)27(33)20(3)19(2)26(29)24(30-28(29)34)17-21-11-5-4-6-12-21/h4-6,8,11-12,14,18-19,22-24,26-27,31,33H,3,7,9-10,13,15-17H2,1-2H3,(H,30,34)/bSee more
  4. 3-缩酮
      规格或纯度 :
    • ≥98%(HPLC)
    CAS号: 5571-36-8
    分子式: C20H26O3        分子量: 314.43
    IUPAC Name: (8S,13S,14S)-13-methylspiro[1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-one
    SMILES: CC12CC=C3C(C1CCC2=O)CCC4=C3CCC5(C4)OCCO5
    InChIKey: XUOQKQRMICQUQC-AOIWGVFYSA-N
    InChI: 1S/C20H26O3/c1-19-8-6-15-14-7-9-20(22-10-11-23-20)12-13(14)2-3-16(15)17(19)4-5-18(19)21/h6,16-17H,2-5,7-12H2,1H3/t16-,17+,19+/m1/s1
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