小分子和化合物库

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显示第112个,产品总数82

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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. TC-SP 14,S1P1受体激动剂
      规格或纯度 :
    • ≥98%(HPLC)
    CAS号 : 1257093-40-5        Compound CID : 51346934
    分子式: C25H20F2N2O2S        分子量: 450.5
    IUPAC Name: 1-[[3-fluoro-4-[5-[(2-fluorophenyl)methyl]-1,3-benzothiazol-2-yl]phenyl]methyl]azetidine-3-carboxylic acid
    SMILES: C1C(CN1CC2=CC(=C(C=C2)C3=NC4=C(S3)C=CC(=C4)CC5=CC=CC=C5F)F)C(=O)O
    InChIKey: GVXGVDIXINMAAL-UHFFFAOYSA-N
    InChI: InChI=1S/C25H20F2N2O2S/c26-20-4-2-1-3-17(20)9-15-6-8-23-22(11-15)28-24(32-23)19-7-5-16(10-21(19)27)12-29-13-18(14-29)25(30)31/h1-8,10-11,18H,9,12-14H2,(H,30,31)
  3. TC-G 1006,鞘氨醇-1-磷酸受体1(S1P1)激动剂
      规格或纯度 :
    • ≥98%(HPLC)
    CAS号 : 1324003-64-6        Compound CID : 54764919
    分子式: C21H16F3N3O3        分子量: 415.37
    IUPAC Name: 4-methoxy-N-[[4-phenyl-3-(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxamide
    SMILES: COC1=C(C=NC=C1)C(=O)NC(=O)NC2=CC(=C(C=C2)C3=CC=CC=C3)C(F)(F)F
    InChIKey: MLDQTQOMWDNTNN-UHFFFAOYSA-N
    InChI: InChI=1S/C21H16F3N3O3/c1-30-18-9-10-25-12-16(18)19(28)27-20(29)26-14-7-8-15(13-5-3-2-4-6-13)17(11-14)21(22,23)24/h2-12H,1H3,(H2,26,27,28,29)
  4. CS 2100,S1P1激动剂
      规格或纯度 :
    • ≥97%(HPLC)
    CAS号 : 913827-99-3        Compound CID : 11977938
    分子式: C25H23N3O4S        分子量: 461.53
    IUPAC Name: 1-[[4-ethyl-5-[5-(4-phenoxyphenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]azetidine-3-carboxylic acid
    SMILES: CCC1=C(SC(=C1)CN2CC(C2)C(=O)O)C3=NOC(=N3)C4=CC=C(C=C4)OC5=CC=CC=C5
    InChIKey: DWVJASHDNJMDNH-UHFFFAOYSA-N
    InChI: InChI=1S/C25H23N3O4S/c1-2-16-12-21(15-28-13-18(14-28)25(29)30)33-22(16)23-26-24(32-27-23)17-8-10-20(11-9-17)31-19-6-4-3-5-7-19/h3-12,18H,2,13-15H2,1H3,(H,29,30)
  5. 芬戈莫德
    CAS号 : 162359-55-9        Compound CID : 107970
    分子式: C19H33NO2        分子量: 307.47
    IUPAC Name: 2-amino-2-[2-(4-octylphenyl)ethyl]propane-1,3-diol
    SMILES: CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N
    InChIKey: KKGQTZUTZRNORY-UHFFFAOYSA-N
    InChI: InChI=1S/C19H33NO2/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-22/h9-12,21-22H,2-8,13-16,20H2,1H3
  6. 3-Phenyl-5-(4-phenyl-5-(trifluoromethyl)thiophen-2-yl)-1,2,4-oxadiazole
    CAS号 : 256414-81-0        Compound CID : 2740144
    分子式: C19H11F3N2OS        分子量: 372.4
    IUPAC Name: 3-phenyl-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole
    SMILES: C1=CC=C(C=C1)C2=C(SC(=C2)C3=NC(=NO3)C4=CC=CC=C4)C(F)(F)F
    InChIKey: PJHDZYVIURRTBF-UHFFFAOYSA-N
    InChI: InChI=1S/C19H11F3N2OS/c20-19(21,22)16-14(12-7-3-1-4-8-12)11-15(26-16)18-23-17(24-25-18)13-9-5-2-6-10-13/h1-11H
  7. 4-chloro-2-[(3-iodophenyl)carbamoylamino]benzoic Acid
    CAS号 : 639009-97-5        Compound CID : 10001987
    分子式: C14H10ClIN2O3        分子量: 416.6
    IUPAC Name: 4-chloro-2-[(3-iodophenyl)carbamoylamino]benzoic acid
    SMILES: C1=CC(=CC(=C1)I)NC(=O)NC2=C(C=CC(=C2)Cl)C(=O)O
    InChIKey: HDVLBTNZJJUZTI-UHFFFAOYSA-N
    InChI: InChI=1S/C14H10ClIN2O3/c15-8-4-5-11(13(19)20)12(6-8)18-14(21)17-10-3-1-2-9(16)7-10/h1-7H,(H,19,20)(H2,17,18,21)
  8. 2-[5-(4-Tert-butylphenyl)-1,3,4-oxadiazol-2-yl]aniline
    CAS号 : 159222-57-8        Compound CID : 2799937
    分子式: C18H19N3O        分子量: 293.4
    IUPAC Name: 2-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]aniline
    SMILES: CC(C)(C)C1=CC=C(C=C1)C2=NN=C(O2)C3=CC=CC=C3N
    InChIKey: ORSLEBNPFFMHND-UHFFFAOYSA-N
    InChI: InChI=1S/C18H19N3O/c1-18(2,3)13-10-8-12(9-11-13)16-20-21-17(22-16)14-6-4-5-7-15(14)19/h4-11H,19H2,1-3H3
  9. (R)-磷酸单-[2-氨基-2-(3-辛基-苯基氨基甲酰基)-乙基]酯
    CAS号 : 449173-19-7        Compound CID : 11588811
    分子式: C17H29N2O5P        分子量: 372.396
    IUPAC Name: [(2R)-2-amino-3-(3-octylanilino)-3-oxopropyl] dihydrogen phosphate
    SMILES: CCCCCCCCC1=CC(=CC=C1)NC(=O)C(COP(=O)(O)O)N
    InChIKey: MRUSUGVVWGNKFE-MRXNPFEDSA-N
    InChI: InChI=1S/C17H29N2O5P/c1-2-3-4-5-6-7-9-14-10-8-11-15(12-14)19-17(20)16(18)13-24-25(21,22)23/h8,10-12,16H,2-7,9,13,18H2,1H3,(H,19,20)(H2,21,22,23)/t16-/m1/s1
  10. SEW2871,S1P 1激动剂
    CAS号 : 256414-75-2        Compound CID : 4077460
    分子式: C20H10F6N2OS        分子量: 440.36
    IUPAC Name: 5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
    SMILES: C1=CC=C(C=C1)C2=C(SC(=C2)C3=NC(=NO3)C4=CC(=CC=C4)C(F)(F)F)C(F)(F)F
    InChIKey: OYMNPJXKQVTQTR-UHFFFAOYSA-N
    InChI: InChI=1S/C20H10F6N2OS/c21-19(22,23)13-8-4-7-12(9-13)17-27-18(29-28-17)15-10-14(11-5-2-1-3-6-11)16(30-15)20(24,25)26/h1-10H
  11. Tezampanel,拮抗剂
    CAS号 : 154652-83-2        Compound CID : 127894
    分子式: C13H21N5O2        分子量: 279.34
    IUPAC Name: (3S,4aR,6R,8aR)-6-[2-(2H-tetrazol-5-yl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid
    SMILES: C1CC2CNC(CC2CC1CCC3=NNN=N3)C(=O)O
    InChIKey: ZXFRFPSZAKNPQQ-YTWAJWBKSA-N
    InChI: InChI=1S/C13H21N5O2/c19-13(20)11-6-10-5-8(1-3-9(10)7-14-11)2-4-12-15-17-18-16-12/h8-11,14H,1-7H2,(H,19,20)(H,15,16,17,18)/t8-,9+,10-,11+/m1/s1
  12. D-赤型鞘氨醇-1-磷酸
    CAS号 : 26993-30-6        Compound CID : 5283560
    分子式: C18H38NO5P        分子量: 379.472
    IUPAC Name: [(E,2S,3R)-2-amino-3-hydroxyoctadec-4-enyl] dihydrogen phosphate
    SMILES: CCCCCCCCCCCCCC=CC(C(COP(=O)(O)O)N)O
    InChIKey: DUYSYHSSBDVJSM-KRWOKUGFSA-N
    InChI: InChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/b15-14+/t17-,18+/m0/s1
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