小分子和化合物库

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显示第112个,产品总数76

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  1. (S)-AMPA
      规格或纯度 :
    • ≥98%
    CAS号 : 83643-88-3       
    分子式: C7H10N2O4        分子量: 186.17
    IUPAC Name: (2S)-2-amino-3-(5-methyl-3-oxo-1,2-oxazol-4-yl)propanoic acid
    SMILES: CC1=C(C(=O)NO1)CC(C(=O)O)N
    InChIKey: UUDAMDVQRQNNHZ-YFKPBYRVSA-N
    InChI: InChI=1S/C7H10N2O4/c1-3-4(6(10)9-13-3)2-5(8)7(11)12/h5H,2,8H2,1H3,(H,9,10)(H,11,12)/t5-/m0/s1
  2. 多西他赛三水合物
      规格或纯度 :
    • ≥98%
    CAS号 : 148408-66-6        Compound CID : 148123
    分子式: C43H59NO17        分子量: 861.9
    IUPAC Name: [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1,9,12-trihydroxy-15-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;trihydrate
    SMILES: CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O.O.O.O
    InChIKey: XCDIRYDKECHIPE-QHEQPUDQSA-N
    InChI: InChI=1S/C43H53NO14.3H2O/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45;;;/h9-18,26-28,30-33,35,46-48,53H,19-21H2,1-8H3,(H,44,52);3*1H2/t26-,27-,28+,30-,31+,32+,33-,35-,41+,42-,43+;;;/m0.../s1
  3. Ampalex
    CAS号 : 154235-83-3        Compound CID : 148184
    分子式: C14H15N3O        分子量: 241.29
    IUPAC Name: piperidin-1-yl(quinoxalin-6-yl)methanone
    SMILES: C1CCN(CC1)C(=O)C2=CC3=NC=CN=C3C=C2
    InChIKey: ANDGGVOPIJEHOF-UHFFFAOYSA-N
    InChI: InChI=1S/C14H15N3O/c18-14(17-8-2-1-3-9-17)11-4-5-12-13(10-11)16-7-6-15-12/h4-7,10H,1-3,8-9H2
  4. 多西他赛三水合物
      规格或纯度 :
    • 10mM in DMSO
    CAS号 : 148408-66-6        Compound CID : 148123
    分子式: C43H59NO17        分子量: 861.9
    IUPAC Name: [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1,9,12-trihydroxy-15-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;trihydrate
    SMILES: CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O.O.O.O
    InChIKey: XCDIRYDKECHIPE-QHEQPUDQSA-N
    InChI: InChI=1S/C43H53NO14.3H2O/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45;;;/h9-18,26-28,30-33,35,46-48,53H,19-21H2,1-8H3,(H,44,52);3*1H2/t26-,27-,28+,30-,31+,32+,33-,35-,41+,42-,43+;;;/m0.../s1
  5. CX 546
    CAS号 : 215923-54-9(DMSO)        Compound CID : 2890
    分子式: C14H17NO3        分子量: 247.29
    IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-yl(piperidin-1-yl)methanone
    SMILES: C1CCN(CC1)C(=O)C2=CC3=C(C=C2)OCCO3
    InChIKey: LJUNPHMOGNFFOS-UHFFFAOYSA-N
    InChI: InChI=1S/C14H17NO3/c16-14(15-6-2-1-3-7-15)11-4-5-12-13(10-11)18-9-8-17-12/h4-5,10H,1-3,6-9H2
  6. IDRA-21
    CAS号 : 22503-72-6(DMSO)        Compound CID : 3688
    分子式: C8H9ClN2O2S        分子量: 232.69
    IUPAC Name: 7-chloro-3-methyl-3,4-dihydro-2H-1位6,2,4-benzothiadiazine 1,1-dioxide
    SMILES: CC1NC2=C(C=C(C=C2)Cl)S(=O)(=O)N1
    InChIKey: VZRNTCHTJRLTMU-UHFFFAOYSA-N
    InChI: InChI=1S/C8H9ClN2O2S/c1-5-10-7-3-2-6(9)4-8(7)14(12,13)11-5/h2-5,10-11H,1H3
  7. 环噻嗪
    CAS号 : 2259-96-3(DMSO)        Compound CID : 2910
    分子式: C14H16ClN3O4S2        分子量: 389.87
    IUPAC Name: 3-(2-bicyclo[2.2.1]hept-5-enyl)-6-chloro-1,1-dioxo-3,4-dihydro-2H-1位6,2,4-benzothiadiazine-7-sulfonamide
    SMILES: C1C2CC(C1C=C2)C3NC4=CC(=C(C=C4S(=O)(=O)N3)S(=O)(=O)N)Cl
    InChIKey: BOCUKUHCLICSIY-UHFFFAOYSA-N
    InChI: InChI=1S/C14H16ClN3O4S2/c15-10-5-11-13(6-12(10)23(16,19)20)24(21,22)18-14(17-11)9-4-7-1-2-8(9)3-7/h1-2,5-9,14,17-18H,3-4H2,(H2,16,19,20)
  8. (S)-Willardiine
      规格或纯度 :
    • ≥99%
    CAS号 : 21416-43-3        Compound CID : 440053
    分子式: C7H9N3O4        分子量: 199.166
    IUPAC Name: (2S)-2-amino-3-(2,4-dioxopyrimidin-1-yl)propanoic acid
    SMILES: C1=CN(C(=O)NC1=O)CC(C(=O)O)N
    InChIKey: FACUYWPMDKTVFU-BYPYZUCNSA-N
    InChI: InChI=1S/C7H9N3O4/c8-4(6(12)13)3-10-2-1-5(11)9-7(10)14/h1-2,4H,3,8H2,(H,12,13)(H,9,11,14)/t4-/m0/s1
  9. Mibampator
      规格或纯度 :
    • ≥99%
    CAS号 : 375345-95-2        Compound CID : 9889366
    分子式: C21H30N2O4S2        分子量: 438.60
    IUPAC Name: N-[(2R)-2-[4-[4-[2-(methanesulfonamido)ethyl]phenyl]phenyl]propyl]propane-2-sulfonamide
    SMILES: CC(C)S(=O)(=O)NCC(C)C1=CC=C(C=C1)C2=CC=C(C=C2)CCNS(=O)(=O)C
    InChIKey: ULRDYYKSPCRXAJ-KRWDZBQOSA-N
    InChI: InChI=1S/C21H30N2O4S2/c1-16(2)29(26,27)23-15-17(3)19-9-11-21(12-10-19)20-7-5-18(6-8-20)13-14-22-28(4,24)25/h5-12,16-17,22-23H,13-15H2,1-4H3/t17-/m0/s1
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