小分子和化合物库

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显示第4960个,产品总数289

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  1. NYC-488,新型钙蛋白酶抑制剂
      规格或纯度 :
    • ≥94%
    CAS号: 1448429-06-8        Compound CID : 71660816
    分子式: C19H17FN6O5S        分子量: 460.4
    IUPAC Name: (2S,3S)-3-[[(2S)-1-[[1-(4-fluorophenyl)triazol-4-yl]methylamino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]carbamoyl]oxirane-2-carboxylic acid
    SMILES: C1=CC(=CC=C1N2C=C(N=N2)CNC(=O)C(CC3=CSC=N3)NC(=O)C4C(O4)C(=O)O)F
    InChIKey: IPWMYOJQVHCYRC-JYJNAYRXSA-N
    InChI: 1S/C19H17FN6O5S/c20-10-1-3-13(4-2-10)26-7-12(24-25-26)6-21-17(27)14(5-11-8-32-9-22-11)23-18(28)15-16(31-15)19(29)30/h1-4,7-9,14-16H,5-6H2,(H,21,27)(H,23,28)(H,29,30)/t14-,15-,16-/m0/s1
  2. (1R,1'S,3'R/1R,1'R,3'S)-L-054,264
      规格或纯度 :
    • ≥94%
    CAS号: 208706-12-1        Compound CID : 9915239
    分子式: C33H41N5O2        分子量: 539.71
    IUPAC Name: N-[(2R)-1-[[(1R,3S)-3-(aminomethyl)cyclohexyl]methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]spiro[indene-1,4'-piperidine]-1'-carboxamide
    SMILES: C1CC(CC(C1)CNC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)N4CCC5(CC4)C=CC6=CC=CC=C56)CN
    InChIKey: DAMXHAMKVXERLM-FVBCXUTKSA-N
    InChI: 1S/C33H41N5O2/c34-20-23-6-5-7-24(18-23)21-36-31(39)30(19-26-22-35-29-11-4-2-9-27(26)29)37-32(40)38-16-14-33(15-17-38)13-12-25-8-1-3-10-28(25)33/h1-4,8-13,22-24,30,35H,5-7,14-21,34H2,(H,36,39)(H,37,40)See more
  3. 喹吖因 二盐酸盐
    CAS号: 69-05-6        EC号: 200-700-8        Compound CID : 6239
    分子式: C23H30ClN3O·2HCl        分子量: 472.88
    IUPAC Name: 4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine;dihydrochloride
    SMILES: CCN(CC)CCCC(C)NC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC.Cl.Cl
    InChIKey: UDKVBVICMUEIKS-UHFFFAOYSA-N
    InChI: 1S/C23H30ClN3O.2ClH/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23;;/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26);2*1H
  4. 8-辛酰氧基芘-1,3,6-三磺酸三钠盐
      规格或纯度 :
    • ≥90%
    CAS号: 115787-84-3
    分子式: C24H21Na3O11S3        分子量: 650.58
    IUPAC Name: trisodium;8-octanoyloxypyrene-1,3,6-trisulfonate
    SMILES: CCCCCCCC(=O)OC1=CC(=C2C=CC3=C(C=C(C4=C3C2=C1C=C4)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]
    InChIKey: RZVSWISDVXUSGY-UHFFFAOYSA-K
    InChI: 1S/C24H24O11S3.3Na/c1-2-3-4-5-6-7-22(25)35-18-12-19(36(26,27)28)15-10-11-17-21(38(32,33)34)13-20(37(29,30)31)16-9-8-14(18)23(15)24(16)17;;;/h8-13H,2-7H2,1H3,(H,26,27,28)(H,29,30,31)(H,32,33,34);;;/q;3See more
  5. 乙酸龙舌兰皂苷酯
      规格或纯度 :
    • ≥90%
    CAS号: 915-35-5        EC号: 213-021-7        Compound CID : 101906
    分子式: C29H44O5        分子量: 472.67
    IUPAC Name: [(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,16S,18S)-5',7,9,13-tetramethyl-10-oxospiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl] acetate
    SMILES: CC1CCC2(C(C3C(O2)CC4C3(C(=O)CC5C4CCC6C5(CCC(C6)OC(=O)C)C)C)C)OC1
    InChIKey: CVKZWRTYHCDWTE-RSEFXUKDSA-N
    InChI: 1S/C29H44O5/c1-16-8-11-29(32-15-16)17(2)26-24(34-29)13-23-21-7-6-19-12-20(33-18(3)30)9-10-27(19,4)22(21)14-25(31)28(23,26)5/h16-17,19-24,26H,6-15H2,1-5H3/t16-,17+,19+,20+,21-,22+,23+,24+,26+,27+,28-,2See more
  6. 8-溴腺苷5'-三磷酸钠盐
      规格或纯度 :
    • ≥90%
    CAS号: 81035-56-5        Compound CID : 90477395
    分子式: C10H15BrN5O13P3•x(Na)        分子量: 586.08 (free)
    IUPAC Name: sodium;[[[(2R,3S,4R,5R)-5-(6-amino-8-bromopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate
    SMILES: C1=NC(=C2C(=N1)N(C(=N2)Br)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)[O-])O)O)N.[Na+]
    InChIKey: CDLMOHDSMLZBCO-GWTDSMLYSA-M
    InChI: 1S/C10H15BrN5O13P3.Na/c11-10-15-4-7(12)13-2-14-8(4)16(10)9-6(18)5(17)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21;/h2-3,5-6,9,17-18H,1H2,(H,22,23)(H,24,25)(H2,12,13,14)(H2,19,20,21);/q;+1/p-1/t3-,5See more
  7. CP 1282
      规格或纯度 :
    • ≥94%
    CAS号: 69712-30-7        Compound CID : 155329
    分子式: C17H17N7O8S4        分子量: 575.62
    IUPAC Name: (6R,7S)-7-[[2-[(4-carboxy-3-oxo-1,2-thiazol-5-yl)sulfanyl]acetyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
    SMILES: CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)(NC(=O)CSC4=C(C(=O)NS4)C(=O)O)OC)SC2)C(=O)O
    InChIKey: WCUINLYXNAJTNU-WBVHZDCISA-N
    InChI: 1S/C17H17N7O8S4/c1-23-16(19-21-22-23)35-4-6-3-34-15-17(32-2,14(31)24(15)9(6)12(29)30)18-7(25)5-33-13-8(11(27)28)10(26)20-36-13/h15H,3-5H2,1-2H3,(H,18,25)(H,20,26)(H,27,28)(H,29,30)/t15-,17+/m1/s1
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