小分子和化合物库

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显示第112个,产品总数135

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  1. 脱甲基YM298198盐酸盐
      规格或纯度 :
    • ≥99%
    CAS号 : 299901-57-8        Compound CID : 11716890
    分子式: C17H20N4OS.HCl        分子量: 364.89
    IUPAC Name: 7-amino-N-cyclohexyl-1-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide
    SMILES: CC1=C(SC2=NC3=C(N12)C=C(C=C3)N)C(=O)NC4CCCCC4
    InChIKey: VWOMTTIMBHBPBI-UHFFFAOYSA-N
    InChI: InChI=1S/C17H20N4OS/c1-10-15(16(22)19-12-5-3-2-4-6-12)23-17-20-13-8-7-11(18)9-14(13)21(10)17/h7-9,12H,2-6,18H2,1H3,(H,19,22)
  2. CFMTI
      规格或纯度 :
    • ≥98%
    CAS号 : 864864-17-5        Compound CID : 11175501
    分子式: C19H16FN5O        分子量: 349.36
    IUPAC Name: 2-cyclopropyl-5-[1-(2-fluoropyridin-3-yl)-5-methyltriazol-4-yl]-3H-isoindol-1-one
    SMILES: CC1=C(N=NN1C2=C(N=CC=C2)F)C3=CC4=C(C=C3)C(=O)N(C4)C5CC5
    InChIKey: XZBFQWRAIYRPPZ-UHFFFAOYSA-N
    InChI: InChI=1S/C19H16FN5O/c1-11-17(22-23-25(11)16-3-2-8-21-18(16)20)12-4-7-15-13(9-12)10-24(19(15)26)14-5-6-14/h2-4,7-9,14H,5-6,10H2,1H3
  3. 9-(Dimethylamino)-3-(4-methoxyphenyl)-4-pyrido[1,2]thieno[3,4-d]pyrimidinone
    CAS号 : 159583-16-1        Compound CID : 1208332
    分子式: C18H16N4O2S        分子量: 352.4
    IUPAC Name: 13-(dimethylamino)-5-(4-methoxyphenyl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
    SMILES: CN(C)C1=C2C3=C(C(=O)N(C=N3)C4=CC=C(C=C4)OC)SC2=NC=C1
    InChIKey: COQPVKMATNFNLG-UHFFFAOYSA-N
    InChI: InChI=1S/C18H16N4O2S/c1-21(2)13-8-9-19-17-14(13)15-16(25-17)18(23)22(10-20-15)11-4-6-12(24-3)7-5-11/h4-10H,1-3H3
  4. 9-(dimethylamino)-3-(4-methylphenyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
    CAS号 : 6048-64-2        Compound CID : 744275
    分子式: C18H16N4OS        分子量: 336.4
    IUPAC Name: 13-(dimethylamino)-5-(4-methylphenyl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
    SMILES: CC1=CC=C(C=C1)N2C=NC3=C(C2=O)SC4=NC=CC(=C34)N(C)C
    InChIKey: TUKBLRJBXIQJPU-UHFFFAOYSA-N
    InChI: InChI=1S/C18H16N4OS/c1-11-4-6-12(7-5-11)22-10-20-15-14-13(21(2)3)8-9-19-17(14)24-16(15)18(22)23/h4-10H,1-3H3
  5. 9-(dimethylamino)-3-phenylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
           Compound CID : 699222
    分子式: C17H14N4OS        分子量: 322.4
    IUPAC Name: 13-(dimethylamino)-5-phenyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
    SMILES: CN(C)C1=C2C3=C(C(=O)N(C=N3)C4=CC=CC=C4)SC2=NC=C1
    InChIKey: ADOZDJQXPOGXEV-UHFFFAOYSA-N
    InChI: InChI=1S/C17H14N4OS/c1-20(2)12-8-9-18-16-13(12)14-15(23-16)17(22)21(10-19-14)11-6-4-3-5-7-11/h3-10H,1-2H3
  6. 6-methoxy-N-(4-methoxyphenyl)quinazolin-4-amine
           Compound CID : 9926999
    分子式: C16H15N3O2        分子量: 281.31
    IUPAC Name: 6-methoxy-N-(4-methoxyphenyl)quinazolin-4-amine
    SMILES: COC1=CC=C(C=C1)NC2=NC=NC3=C2C=C(C=C3)OC
    InChIKey: XPJOMFBGKIABQW-UHFFFAOYSA-N
    InChI: InChI=1S/C16H15N3O2/c1-20-12-5-3-11(4-6-12)19-16-14-9-13(21-2)7-8-15(14)17-10-18-16/h3-10H,1-2H3,(H,17,18,19)
  7. MPEP,mGlu 5拮抗剂
    CAS号 : 96206-92-7        Compound CID : 3025961
    分子式: C14H11N        分子量: 193.24
    IUPAC Name: 2-methyl-6-(2-phenylethynyl)pyridine
    SMILES: CC1=NC(=CC=C1)C#CC2=CC=CC=C2
    InChIKey: NEWKHUASLBMWRE-UHFFFAOYSA-N
    InChI: InChI=1S/C14H11N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-9H,1H3
  8. 五肽胃泌素
    CAS号 : 5534-95-2        Compound CID : 9853654
    分子式: C37H49N7O9(free base)        分子量: 767.89(free base)
    IUPAC Name: (3S)-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoic acid
    SMILES: CC(C)(C)OC(=O)NCCC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CCSC)C(=O)NC(CC(=O)O)C(=O)NC(CC3=CC=CC=C3)C(=O)N
    InChIKey: NEYNJQRKHLUJRU-DZUOILHNSA-N
    InChI: InChI=1S/C37H49N7O9S/c1-37(2,3)53-36(52)39-16-14-30(45)41-28(19-23-21-40-25-13-9-8-12-24(23)25)34(50)42-26(15-17-54-4)33(49)44-29(20-31(46)47)35(51)43-27(32(38)48)18-22-10-6-5-7-11-22/h5-13,21,26-29,40H,14-20H2,1-4H3,(H2,38,48)(H,39,52)(H,41,45)(H,42,50)(H,43,51)(H,44,49)(H,46,47)/t26-,27-,28-,29-/m0/s1
  9. 瑞巴派特
    CAS号 : 90098-04-7        Compound CID : 5042
    分子式: C19H15ClN2O4.xH2O        分子量: 370.79
    IUPAC Name: 2-[(4-chlorobenzoyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoic acid
    SMILES: C1=CC=C2C(=C1)C(=CC(=O)N2)CC(C(=O)O)NC(=O)C3=CC=C(C=C3)Cl
    InChIKey: ALLWOAVDORUJLA-UHFFFAOYSA-N
    InChI: InChI=1S/C19H15ClN2O4/c20-13-7-5-11(6-8-13)18(24)22-16(19(25)26)9-12-10-17(23)21-15-4-2-1-3-14(12)15/h1-8,10,16H,9H2,(H,21,23)(H,22,24)(H,25,26)
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