小分子和化合物库

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显示第112个,产品总数87

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  1. 组胺
    CAS号 : 51-45-6        Compound CID : 774
    分子式: C5H9N3        分子量: 111.15
    IUPAC Name: 2-(1H-imidazol-5-yl)ethanamine
    SMILES: C1=C(NC=N1)CCN
    InChIKey: NTYJJOPFIAHURM-UHFFFAOYSA-N
    InChI: InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
  2. VUF 10460,H4激动剂
      规格或纯度 :
    • ≥98%(HPLC)
    CAS号 : 1028327-66-3        Compound CID : 25129523
    分子式: C15H19N5        分子量: 269.34
    IUPAC Name: 4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
    SMILES: CN1CCN(CC1)C2=NC(=NC(=C2)C3=CC=CC=C3)N
    InChIKey: NIJGWJIOMPHDBP-UHFFFAOYSA-N
    InChI: InChI=1S/C15H19N5/c1-19-7-9-20(10-8-19)14-11-13(17-15(16)18-14)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H2,16,17,18)
  3. 碘苯丙酮二氢溴化物
      规格或纯度 :
    • ≥98%(HPLC)
    CAS号 : 145196-87-8        Compound CID : 24978528
    分子式: C15H19IN4S•2HBr        分子量: 576.13
    IUPAC Name: 3-(1H-imidazol-5-yl)propyl N'-[2-(4-iodophenyl)ethyl]carbamimidothioate;dihydrobromide
    SMILES: C1=CC(=CC=C1CCN=C(N)SCCCC2=CN=CN2)I.Br.Br
    InChIKey: BOSOGNBLIWPCMS-UHFFFAOYSA-N
    InChI: InChI=1S/C15H19IN4S.2BrH/c16-13-5-3-12(4-6-13)7-8-19-15(17)21-9-1-2-14-10-18-11-20-14;;/h3-6,10-11H,1-2,7-9H2,(H2,17,19)(H,18,20);2*1H
  4. A 987306,H4拮抗剂
      规格或纯度 :
    • ≥98%(HPLC)
    CAS号 : 1082954-71-9        Compound CID : 44538833
    分子式: C18H25N5O        分子量: 327.42
    IUPAC Name: (7aR,11aR)-4-piperazin-1-yl-5,6,7a,8,9,10,11,11a-octahydro-[1]benzofuro[2,3-h]quinazolin-2-amine
    SMILES: C1CCC2C(C1)C3=C(O2)CCC4=C3N=C(N=C4N5CCNCC5)N
    InChIKey: DJKJVWJQAVGLHJ-WCQYABFASA-N
    InChI: InChI=1S/C18H25N5O/c19-18-21-16-12(17(22-18)23-9-7-20-8-10-23)5-6-14-15(16)11-3-1-2-4-13(11)24-14/h11,13,20H,1-10H2,(H2,19,21,22)/t11-,13+/m0/s1
  5. Avacopan (CCX168)
    CAS号 : 1346623-17-3        Compound CID : 49841217
    分子式: C33H35F4N3O2        分子量: 581.64
    IUPAC Name: (2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
    SMILES: CC1=C(C(=CC=C1)F)C(=O)N2CCCC(C2C3=CC=C(C=C3)NC4CCCC4)C(=O)NC5=CC(=C(C=C5)C)C(F)(F)F
    InChIKey: PUKBOVABABRILL-YZNIXAGQSA-N
    InChI: InChI=1S/C33H35F4N3O2/c1-20-12-15-25(19-27(20)33(35,36)37)39-31(41)26-10-6-18-40(32(42)29-21(2)7-5-11-28(29)34)30(26)22-13-16-24(17-14-22)38-23-8-3-4-9-23/h5,7,11-17,19,23,26,30,38H,3-4,6,8-10,18H2,1-2H3,(H,39,41)/t26-,30-/m0/s1
  6. 组胺
    CAS号 : 51-45-6        Compound CID : 774
    分子式: C5H9N3        分子量: 111.15
    IUPAC Name: 2-(1H-imidazol-5-yl)ethanamine
    SMILES: C1=C(NC=N1)CCN
    InChIKey: NTYJJOPFIAHURM-UHFFFAOYSA-N
    InChI: InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
  7. PMX 53
    CAS号 : 219639-75-5        Compound CID : 6918468
    分子式: C47H65N11O7        分子量: 896.1
    IUPAC Name: (2S)-2-acetamido-N-[(3S,9S,12S,15R,18S)-15-(cyclohexylmethyl)-9-[3-(diaminomethylideneamino)propyl]-12-(1H-indol-3-ylmethyl)-2,8,11,14,17-pentaoxo-1,7,10,13,16-pentazabicyclo[16.3.0]henicosan-3-yl]-3-phenylpropanamide
    SMILES: CC(=O)NC(CC1=CC=CC=C1)C(=O)NC2CCCNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C3CCCN3C2=O)CC4CCCCC4)CC5=CNC6=CC=CC=C65)CCCN=C(N)N
    InChIKey: YOKBGCTZYPOSQM-HPSWDUTRSA-N
    InChI: InChI=1S/C47H65N11O7/c1-29(59)53-37(25-30-13-4-2-5-14-30)42(61)55-36-20-11-22-50-41(60)35(19-10-23-51-47(48)49)54-44(63)39(27-32-28-52-34-18-9-8-17-33(32)34)56-43(62)38(26-31-15-6-3-7-16-31)57-45(64)40-21-12-24-58(40)46(36)65/h2,4-5,8-9,13-14,17-18,28,31,35-40,52H,3,6-7,10-12,15-16,19-27H2,1H3,(H,50,60)(H,53,59)(H,54,63)(H,55,61)(H,56,62)(H,57,64)(H4,48,49,51)/t35-,36-,37-,38+,39-,40-/m0/s1
  8. VUF 10460
      规格或纯度 :
    • 10mM in DMSO
    CAS号 : 1028327-66-3        Compound CID : 25129523
    分子式: C15H19N5        分子量: 269.34
    IUPAC Name: 4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
    SMILES: CN1CCN(CC1)C2=NC(=NC(=C2)C3=CC=CC=C3)N
    InChIKey: NIJGWJIOMPHDBP-UHFFFAOYSA-N
    InChI: InChI=1S/C15H19N5/c1-19-7-9-20(10-8-19)14-11-13(17-15(16)18-14)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H2,16,17,18)
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