小分子和化合物库

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显示第112个,产品总数101

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  1. 烟曲霉素
      规格或纯度 :
    • ≥98%
    CAS号 : 23110-15-8        Compound CID : 6917655
    分子式: C26H34O7        分子量: 458.54
    IUPAC Name: (2E,4E,6E,8E)-10-[[(3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl]oxy]-10-oxodeca-2,4,6,8-tetraenoic acid
    SMILES: CC(=CCC1C(O1)(C)C2C(C(CCC23CO3)OC(=O)C=CC=CC=CC=CC(=O)O)OC)C
    InChIKey: NGGMYCMLYOUNGM-CSDLUJIJSA-N
    InChI: InChI=1S/C26H34O7/c1-18(2)13-14-20-25(3,33-20)24-23(30-4)19(15-16-26(24)17-31-26)32-22(29)12-10-8-6-5-7-9-11-21(27)28/h5-13,19-20,23-24H,14-17H2,1-4H3,(H,27,28)/b7-5+,8-6+,11-9+,12-10+/t19-,20-,23-,24-,25+,26+/m1/s1
  2. 胡椒碱
      规格或纯度 :
    • ≥98%(HPLC)
    CAS号 : 7780-20-3        Compound CID : 638024
    分子式: C17H19NO3        分子量: 285.37
    IUPAC Name: (2E,4E)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one
    SMILES: C1CCN(CC1)C(=O)C=CC=CC2=CC3=C(C=C2)OCO3
    InChIKey: MXXWOMGUGJBKIW-YPCIICBESA-N
    InChI: InChI=1S/C17H19NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h2-3,6-9,12H,1,4-5,10-11,13H2/b6-2+,7-3+
  3. Linoleylethanolamide,失活的类似物
    CAS号 : 68171-52-8        Compound CID : 5283446
    分子式: C20H37NO2        分子量: 323.51
    IUPAC Name: (9Z,12Z)-N-(2-hydroxyethyl)octadeca-9,12-dienamide
    SMILES: CCCCCC=CCC=CCCCCCCCC(=O)NCCO
    InChIKey: KQXDGUVSAAQARU-HZJYTTRNSA-N
    InChI: InChI=1S/C20H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h6-7,9-10,22H,2-5,8,11-19H2,1H3,(H,21,23)/b7-6-,10-9-
  4. A 784168,TRPV1拮抗剂
      规格或纯度 :
    • ≥99%
    CAS号 : 824982-41-4        Compound CID : 11420211
    分子式: C19H15F6N3O3S        分子量: 479.40
    IUPAC Name: 1-[3-(trifluoromethyl)pyridin-2-yl]-N-[4-(trifluoromethylsulfonyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide
    SMILES: C1CN(CC=C1C(=O)NC2=CC=C(C=C2)S(=O)(=O)C(F)(F)F)C3=C(C=CC=N3)C(F)(F)F
    InChIKey: SDUAWRFBHRAFBM-UHFFFAOYSA-N
    InChI: InChI=1S/C19H15F6N3O3S/c20-18(21,22)15-2-1-9-26-16(15)28-10-7-12(8-11-28)17(29)27-13-3-5-14(6-4-13)32(30,31)19(23,24)25/h1-7,9H,8,10-11H2,(H,27,29)
  5. TNP 470
      规格或纯度 :
    • ≥97%
    CAS号 : 129298-91-5        Compound CID : 369976
    分子式: C19H28CINO6        分子量: 401.88
    IUPAC Name: [(3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] N-(2-chloroacetyl)carbamate
    SMILES: CC(=CCC1C(O1)(C)C2C(C(CCC23CO3)OC(=O)NC(=O)CCl)OC)C
    InChIKey: MSHZHSPISPJWHW-PVDLLORBSA-N
    InChI: InChI=1S/C19H28ClNO6/c1-11(2)5-6-13-18(3,27-13)16-15(24-4)12(7-8-19(16)10-25-19)26-17(23)21-14(22)9-20/h5,12-13,15-16H,6-10H2,1-4H3,(H,21,22,23)/t12-,13-,15-,16-,18+,19+/m1/s1
  6. MDR-652
      规格或纯度 :
    • ≥97%
    CAS号 : 1933528-96-1        Compound CID : 121364823
    分子式: C22H23ClFN3O2S        分子量: 447.95
    IUPAC Name: 1-[[2-tert-butyl-4-(3-chlorophenyl)-1,3-thiazol-5-yl]methyl]-3-[3-fluoro-4-(hydroxymethyl)phenyl]urea
    SMILES: CC(C)(C)C1=NC(=C(S1)CNC(=O)NC2=CC(=C(C=C2)CO)F)C3=CC(=CC=C3)Cl
    InChIKey: HKMPJRGWSUCANB-UHFFFAOYSA-N
    InChI: InChI=1S/C22H23ClFN3O2S/c1-22(2,3)20-27-19(13-5-4-6-15(23)9-13)18(30-20)11-25-21(29)26-16-8-7-14(12-28)17(24)10-16/h4-10,28H,11-12H2,1-3H3,(H2,25,26,29)
  7. 氢化胡椒碱
      规格或纯度 :
    • ≥98%
    CAS号 : 23434-88-0        Compound CID : 581676
    分子式: C17H23NO3        分子量: 289.37
    IUPAC Name: 5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpentan-1-one
    SMILES: C1CCN(CC1)C(=O)CCCCC2=CC3=C(C=C2)OCO3
    InChIKey: APZYKUZPJCQGPP-UHFFFAOYSA-N
    InChI: InChI=1S/C17H23NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h8-9,12H,1-7,10-11,13H2
  8. 3-TYP
      规格或纯度 :
    • ≥99%
    CAS号 : 120241-79-4        Compound CID : 9833992
    分子式: C7H6N4        分子量: 146.15
    IUPAC Name: 3-(2H-triazol-4-yl)pyridine
    SMILES: C1=CC(=CN=C1)C2=NNN=C2
    InChIKey: VYXFEFOIYPNBFK-UHFFFAOYSA-N
    InChI: InChI=1S/C7H6N4/c1-2-6(4-8-3-1)7-5-9-11-10-7/h1-5H,(H,9,10,11)
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