小分子和化合物库

选项
视图 列表 网格

显示第112个,产品总数17

设置降序方向
  1. 银锻苷
    CAS号 : 20316-62-5        Compound CID : 5320686
    分子式: C30H26O13        分子量: 594.52
    IUPAC Name: [(2R,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
    SMILES: C1=CC(=CC=C1C=CC(=O)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)O)O)O)O
    InChIKey: DVGGLGXQSFURLP-VWMSDXGPSA-N
    InChI: InChI=1S/C30H26O13/c31-16-6-1-14(2-7-16)3-10-22(35)40-13-21-24(36)26(38)27(39)30(42-21)43-29-25(37)23-19(34)11-18(33)12-20(23)41-28(29)15-4-8-17(32)9-5-15/h1-12,21,24,26-27,30-34,36,38-39H,13H2/b10-3+/t21-,24-,26+,27-,30+/m1/s1
  2. GMX1778,NF-κβ抑制剂
      规格或纯度 :
    • ≥98%(HPLC)
    CAS号 : 200484-11-3        Compound CID : 148198
    分子式: C19H22ClN5O        分子量: 371.86
    IUPAC Name: 2-[6-(4-chlorophenoxy)hexyl]-1-cyano-3-pyridin-4-ylguanidine
    SMILES: C1=CC(=CC=C1OCCCCCCN=C(NC#N)NC2=CC=NC=C2)Cl
    InChIKey: BOIPLTNGIAPDBY-UHFFFAOYSA-N
    InChI: InChI=1S/C19H22ClN5O/c20-16-5-7-18(8-6-16)26-14-4-2-1-3-11-23-19(24-15-21)25-17-9-12-22-13-10-17/h5-10,12-13H,1-4,11,14H2,(H2,22,23,24,25)
  3. VU 0467485,M4受体的正变构调节剂
      规格或纯度 :
    • ≥98%(HPLC)
    CAS号 : 1451994-10-7        Compound CID : 89777239
    分子式: C17H17FN4O2S        分子量: 360.41
    IUPAC Name: 5-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
    SMILES: CC1=C(N=NC2=C1C(=C(S2)C(=O)NCC3=CC(=C(C=C3)OC)F)N)C
    InChIKey: VFNHDIWHQGVWLL-UHFFFAOYSA-N
    InChI: InChI=1S/C17H17FN4O2S/c1-8-9(2)21-22-17-13(8)14(19)15(25-17)16(23)20-7-10-4-5-12(24-3)11(18)6-10/h4-6H,7,19H2,1-3H3,(H,20,23)
  4. SB-203580,p38 MAPK抑制剂
    CAS号 : 152121-47-6        Compound CID : 176155
    分子式: C21H16FN3OS        分子量: 377.43
    IUPAC Name: 4-[4-(4-fluorophenyl)-2-(4-methylsulfinylphenyl)-1H-imidazol-5-yl]pyridine
    SMILES: CS(=O)C1=CC=C(C=C1)C2=NC(=C(N2)C3=CC=NC=C3)C4=CC=C(C=C4)F
    InChIKey: CDMGBJANTYXAIV-UHFFFAOYSA-N
    InChI: InChI=1S/C21H16FN3OS/c1-27(26)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25)
  5. 托拉塞米
    CAS号 : 56211-40-6        Compound CID : 41781
    分子式: C16H20N4O3S        分子量: 348.42
    IUPAC Name: 1-[4-(3-methylanilino)pyridin-3-yl]sulfonyl-3-propan-2-ylurea
    SMILES: CC1=CC(=CC=C1)NC2=C(C=NC=C2)S(=O)(=O)NC(=O)NC(C)C
    InChIKey: NGBFQHCMQULJNZ-UHFFFAOYSA-N
    InChI: InChI=1S/C16H20N4O3S/c1-11(2)18-16(21)20-24(22,23)15-10-17-8-7-14(15)19-13-6-4-5-12(3)9-13/h4-11H,1-3H3,(H,17,19)(H2,18,20,21)
  6. 联苯苄唑
      规格或纯度 :
    • ≥98%(HPLC)
    CAS号 : 60628-96-8        Compound CID : 2378
    分子式: C22H18N2        分子量: 310.39
    IUPAC Name: 1-[phenyl-(4-phenylphenyl)methyl]imidazole
    SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C(C3=CC=CC=C3)N4C=CN=C4
    InChIKey: OCAPBUJLXMYKEJ-UHFFFAOYSA-N
    InChI: InChI=1S/C22H18N2/c1-3-7-18(8-4-1)19-11-13-21(14-12-19)22(24-16-15-23-17-24)20-9-5-2-6-10-20/h1-17,22H
  7. 溴莫尼定
    CAS号 : 59803-98-4        Compound CID : 2435
    分子式: C11H10BrN5        分子量: 292.135
    IUPAC Name: 5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine
    SMILES: C1CN=C(N1)NC2=C(C3=NC=CN=C3C=C2)Br
    InChIKey: XYLJNLCSTIOKRM-UHFFFAOYSA-N
    InChI: InChI=1S/C11H10BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-4H,5-6H2,(H2,15,16,17)
  8. 克霉唑
    CAS号 : 23593-75-1        Compound CID : 2812
    分子式: C22H17ClN2        分子量: 344.84
    IUPAC Name: 1-[(2-chlorophenyl)-diphenylmethyl]imidazole
    SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3Cl)N4C=CN=C4
    InChIKey: VNFPBHJOKIVQEB-UHFFFAOYSA-N
    InChI: InChI=1S/C22H17ClN2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H
  9. 依法韦仑
    CAS号 : 154598-52-4        Compound CID : 64139
    分子式: C14H9ClF3NO2        分子量: 315.67
    IUPAC Name: (4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one
    SMILES: C1CC1C#CC2(C3=C(C=CC(=C3)Cl)NC(=O)O2)C(F)(F)F
    InChIKey: XPOQHMRABVBWPR-ZDUSSCGKSA-N
    InChI: InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1
  10. 甘罗溴铵
      规格或纯度 :
    • ≥98%(HPLC)
    CAS号 : 596-51-0        Compound CID : 11693
    分子式: C19H28NO3·Br        分子量: 398.33
    IUPAC Name: (1,1-dimethylpyrrolidin-1-ium-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate;bromide
    SMILES: C[N+]1(CCC(C1)OC(=O)C(C2CCCC2)(C3=CC=CC=C3)O)C.[Br-]
    InChIKey: VPNYRYCIDCJBOM-UHFFFAOYSA-M
    InChI: InChI=1S/C19H28NO3.BrH/c1-20(2)13-12-17(14-20)23-18(21)19(22,16-10-6-7-11-16)15-8-4-3-5-9-15;/h3-5,8-9,16-17,22H,6-7,10-14H2,1-2H3;1H/q+1;/p-1
  11. 伊曲康唑
    CAS号 : 84625-61-6        Compound CID : 3793
    分子式: C35H38Cl2N8O4        分子量: 705.63
    IUPAC Name: 2-butan-2-yl-4-[4-[4-[4-[[2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one
    SMILES: CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OCC5COC(O5)(CN6C=NC=N6)C7=C(C=C(C=C7)Cl)Cl
    InChIKey: VHVPQPYKVGDNFY-UHFFFAOYSA-N
    InChI: InChI=1S/C35H38Cl2N8O4/c1-3-25(2)45-34(46)44(24-40-45)29-7-5-27(6-8-29)41-14-16-42(17-15-41)28-9-11-30(12-10-28)47-19-31-20-48-35(49-31,21-43-23-38-22-39-43)32-13-4-26(36)18-33(32)37/h4-13,18,22-25,31H,3,14-17,19-21H2,1-2H3
  12. Tolterodine-L-酒石酸盐
    CAS号 : 124937-51-5        Compound CID : 443879
    分子式: C22H31NO        分子量: 325.5
    IUPAC Name: 2-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenol
    SMILES: CC1=CC(=C(C=C1)O)C(CCN(C(C)C)C(C)C)C2=CC=CC=C2
    InChIKey: OOGJQPCLVADCPB-HXUWFJFHSA-N
    InChI: InChI=1S/C22H31NO/c1-16(2)23(17(3)4)14-13-20(19-9-7-6-8-10-19)21-15-18(5)11-12-22(21)24/h6-12,15-17,20,24H,13-14H2,1-5H3/t20-/m1/s1
页面
每页