小分子和化合物库

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显示第4960个,产品总数622

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  1. 玉米黄质
      规格或纯度 :
    • ≥96%
    CAS号: 144-68-3        Compound CID : 5280899
    分子式: C40H56O2        分子量: 568.87
    IUPAC Name: (1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol
    SMILES: CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CC(CC2(C)C)O)C)C)C
    InChIKey: JKQXZKUSFCKOGQ-QAYBQHTQSA-N
    InChI: 1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-24,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,See more
  2. 莫西克汀
      规格或纯度 :
    • ≥96%
    CAS号: 113507-06-5
    分子式: C37H53NO8        分子量: 639.82
    IUPAC Name: (1R,4S,4'E,5'S,6R,6'S,8R,10E,13R,14E,16E,20R,21R,24S)-21,24-dihydroxy-4'-methoxyimino-5',11,13,22-tetramethyl-6'-[(E)-4-methylpent-2-en-2-yl]spiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-See more
    SMILES: CC1CC(=CCC2CC(CC3(O2)CC(=NOC)C(C(O3)C(=CC(C)C)C)C)OC(=O)C4C=C(C(C5C4(C(=CC=C1)CO5)O)O)C)C
    InChIKey: YZBLFMPOMVTDJY-LSGXYNIPSA-N
    InChI: 1S/C37H53NO8/c1-21(2)14-25(6)33-26(7)31(38-42-8)19-36(46-33)18-29-17-28(45-36)13-12-23(4)15-22(3)10-9-11-27-20-43-34-32(39)24(5)16-30(35(40)44-29)37(27,34)41/h9-12,14,16,21-22,26,28-30,32-34,39,41H,13See more
  3. 金链菌素
      规格或纯度 :
    • ≥96%
    CAS号: 2825-00-5
    分子式: C22H23NO6        分子量: 397.42
    IUPAC Name: 2-methoxy-3,5-dimethyl-6-[(2R,4Z)-4-[(E)-2-methyl-3-(4-nitrophenyl)prop-2-enylidene]oxolan-2-yl]pyran-4-one
    SMILES: CC1=C(OC(=C(C1=O)C)OC)C2CC(=CC(=CC3=CC=C(C=C3)[N+](=O)[O-])C)CO2
    InChIKey: GQKXCBCSVYJUMI-WACKOAQBSA-N
    InChI: 1S/C22H23NO6/c1-13(9-16-5-7-18(8-6-16)23(25)26)10-17-11-19(28-12-17)21-14(2)20(24)15(3)22(27-4)29-21/h5-10,19H,11-12H2,1-4H3/b13-9+,17-10-/t19-/m1/s1
  4. AG 825,ErbB2抑制剂
      规格或纯度 :
    • ≥96%
    CAS号: 149092-50-2
    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: 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+
  5. C 87,TNF-α抑制剂
      规格或纯度 :
    • ≥96%
    CAS号: 332420-90-3
    分子式: C24H15ClN6O3S        分子量: 502.93
    IUPAC Name: 4-[(4-chloro-3-nitrophenyl)diazenyl]-5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one
    SMILES: C1=CC=C(C=C1)C2=CSC(=N2)N3C(=O)C(=C(N3)C4=CC=CC=C4)N=NC5=CC(=C(C=C5)Cl)[N+](=O)[O-]
    InChIKey: HTEQQWJUYYUNQG-UHFFFAOYSA-N
    InChI: 1S/C24H15ClN6O3S/c25-18-12-11-17(13-20(18)31(33)34)27-28-22-21(16-9-5-2-6-10-16)29-30(23(22)32)24-26-19(14-35-24)15-7-3-1-4-8-15/h1-14,29H
  6. DPPI 1c盐酸盐
      规格或纯度 :
    • ≥96%
    CAS号: 866396-70-5        Compound CID : 11381415
    分子式: C14H20N4O2•HCl        分子量: 276.333646
    IUPAC Name: (2S,5R)-1-[2-[[1-(hydroxymethyl)cyclopentyl]amino]acetyl]pyrrolidine-2,5-dicarbonitrile;hydrochloride
    SMILES: C1CCC(C1)(CO)NCC(=O)N2C(CCC2C#N)C#N.Cl
    InChIKey: RHCWAHDCHQTNBR-IWKKHLOMSA-N
    InChI: 1S/C14H20N4O2.ClH/c15-7-11-3-4-12(8-16)18(11)13(20)9-17-14(10-19)5-1-2-6-14;/h11-12,17,19H,1-6,9-10H2;1H/t11-,12+;
  7. Latrunculin B,肌动蛋白聚合抑制剂
    CAS号: 76343-94-7
    分子式: C20H29NO5S        分子量: 395.51
    IUPAC Name: (4R)-4-[(1R,4Z,8Z,10S,13R,15R)-15-hydroxy-5,10-dimethyl-3-oxo-2,14-dioxabicyclo[11.3.1]heptadeca-4,8-dien-15-yl]-1,3-thiazolidin-2-one
    SMILES: CC1CCC2CC(CC(O2)(C3CSC(=O)N3)O)OC(=O)C=C(CCC=C1)C
    InChIKey: NSHPHXHGRHSMIK-JRIKCGFMSA-N
    InChI: 1S/C20H29NO5S/c1-13-5-3-4-6-14(2)9-18(22)25-16-10-15(8-7-13)26-20(24,11-16)17-12-27-19(23)21-17/h3,5,9,13,15-17,24H,4,6-8,10-12H2,1-2H3,(H,21,23)/b5-3-,14-9-/t13-,15-,16-,17+,20-/m1/s1
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