小分子和化合物库

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显示第112个,产品总数285

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  1. 阿扎佩隆
      规格或纯度 :
    • ≥99%
    CAS号 : 1649-18-9        Compound CID : 15443
    分子式: C19H22FN3O        分子量: 327.4
    IUPAC Name: 1-(4-fluorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
    SMILES: C1CN(CCN1CCCC(=O)C2=CC=C(C=C2)F)C3=CC=CC=N3
    InChIKey: XTKDAFGWCDAMPY-UHFFFAOYSA-N
    InChI: InChI=1S/C19H22FN3O/c20-17-8-6-16(7-9-17)18(24)4-3-11-22-12-14-23(15-13-22)19-5-1-2-10-21-19/h1-2,5-10H,3-4,11-15H2
  2. 对乙酰氨基苯酚
      规格或纯度 :
    • AR
    • ≥99%
    CAS号 : 103-90-2        Compound CID : 1983
    分子式: C8H9NO2        分子量: 151.16
    IUPAC Name: N-(4-hydroxyphenyl)acetamide
    SMILES: CC(=O)NC1=CC=C(C=C1)O
    InChIKey: RZVAJINKPMORJF-UHFFFAOYSA-N
    InChI: InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)
  3. BMY 7378 二盐酸盐
      规格或纯度 :
    • ≥98%
    CAS号 : 21102-95-4        Compound CID : 210172
    分子式: C22H31N3O3·2HCl        分子量: 458.42
    IUPAC Name: 8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione;dihydrochloride
    SMILES: COC1=CC=CC=C1N2CCN(CC2)CCN3C(=O)CC4(CCCC4)CC3=O.Cl.Cl
    InChIKey: NIBOMXUDFLRHRV-UHFFFAOYSA-N
    InChI: InChI=1S/C22H31N3O3.2ClH/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22;;/h2-3,6-7H,4-5,8-17H2,1H3;2*1H
  4. SC-560,COX-1抑制剂
    CAS号 : 188817-13-2        Compound CID : 4306515
    分子式: C17H12ON2ClF3        分子量: 352.74
    IUPAC Name: 5-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazole
    SMILES: COC1=CC=C(C=C1)N2C(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)Cl
    InChIKey: PQUGCKBLVKJMNT-UHFFFAOYSA-N
    InChI: InChI=1S/C17H12ClF3N2O/c1-24-14-8-6-13(7-9-14)23-15(10-16(22-23)17(19,20)21)11-2-4-12(18)5-3-11/h2-10H,1H3
  5. 乙酰水杨酸(ASA)
    CAS号 : 50-78-2        Compound CID : 2244
    分子式: C9H8O4        分子量: 180.16
    IUPAC Name: 2-acetyloxybenzoic acid
    SMILES: CC(=O)OC1=CC=CC=C1C(=O)O
    InChIKey: BSYNRYMUTXBXSQ-UHFFFAOYSA-N
    InChI: InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)
  6. 利克飞龙
      规格或纯度 :
    • ≥98%
    CAS号 : 156897-06-2        Compound CID : 133021
    分子式: C23H22ClNO2        分子量: 379.88
    IUPAC Name: 2-[2-(4-chlorophenyl)-6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizin-3-yl]acetic acid
    SMILES: CC1(CC2=C(C(=C(N2C1)CC(=O)O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4)C
    InChIKey: UAWXGRJVZSAUSZ-UHFFFAOYSA-N
    InChI: InChI=1S/C23H22ClNO2/c1-23(2)13-19-22(15-6-4-3-5-7-15)21(16-8-10-17(24)11-9-16)18(12-20(26)27)25(19)14-23/h3-11H,12-14H2,1-2H3,(H,26,27)
  7. 阿多拉嗪
      规格或纯度 :
    • ≥98%
    CAS号 : 222551-17-9        Compound CID : 9887537
    分子式: C24H24FN3O2        分子量: 405.46
    IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-[[5-(4-fluorophenyl)pyridin-3-yl]methyl]piperazine
    SMILES: C1CN(CCN1CC2=CC(=CN=C2)C3=CC=C(C=C3)F)C4=C5C(=CC=C4)OCCO5
    InChIKey: IUVSEUFHPNITEQ-UHFFFAOYSA-N
    InChI: InChI=1S/C24H24FN3O2/c25-21-6-4-19(5-7-21)20-14-18(15-26-16-20)17-27-8-10-28(11-9-27)22-2-1-3-23-24(22)30-13-12-29-23/h1-7,14-16H,8-13,17H2
  8. 4-联苯基乙酸
      规格或纯度 :
    • ≥98%(HPLC)
    CAS号 : 5728-52-9        Compound CID : 3332
    分子式: C14H12O2        分子量: 212.25
    IUPAC Name: 2-(4-phenylphenyl)acetic acid
    SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)CC(=O)O
    InChIKey: QRZAKQDHEVVFRX-UHFFFAOYSA-N
    InChI: InChI=1S/C14H12O2/c15-14(16)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H,10H2,(H,15,16)
  9. 5-羟基色胺
    CAS号 : 50-67-9        Compound CID : 5202
    分子式: C10H12N2O        分子量: 176.22
    IUPAC Name: 3-(2-aminoethyl)-1H-indol-5-ol
    SMILES: C1=CC2=C(C=C1O)C(=CN2)CCN
    InChIKey: QZAYGJVTTNCVMB-UHFFFAOYSA-N
    InChI: InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
  10. 莫非佐酸
      规格或纯度 :
    • ≥95%
    CAS号 : 78967-07-4        Compound CID : 4237
    分子式: C19H17NO5        分子量: 339.35
    IUPAC Name: 2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetic acid
    SMILES: COC1=CC=C(C=C1)C2=C(ON=C2C3=CC=C(C=C3)OC)CC(=O)O
    InChIKey: DJEIHHYCDCTAAH-UHFFFAOYSA-N
    InChI: InChI=1S/C19H17NO5/c1-23-14-7-3-12(4-8-14)18-16(11-17(21)22)25-20-19(18)13-5-9-15(24-2)10-6-13/h3-10H,11H2,1-2H3,(H,21,22)
  11. 对乙酰氨基苯酚
      规格或纯度 :
    • ≥98%
    CAS号 : 103-90-2        Compound CID : 1983
    分子式: C8H9NO2        分子量: 151.16
    IUPAC Name: N-(4-hydroxyphenyl)acetamide
    SMILES: CC(=O)NC1=CC=C(C=C1)O
    InChIKey: RZVAJINKPMORJF-UHFFFAOYSA-N
    InChI: InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)
  12. 马来酸美西麦角
      规格或纯度 :
    • ≥99%
    CAS号 : 129-49-7        Compound CID : 5281073
    分子式: C25H31N3O6        分子量: 469.53
    IUPAC Name: (6aR,9R)-N-[(2S)-1-hydroxybutan-2-yl]-4,7-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide;(Z)-but-2-enedioic acid
    SMILES: CCC(CO)NC(=O)C1CN(C2CC3=CN(C4=CC=CC(=C34)C2=C1)C)C.C(=CC(=O)O)C(=O)O
    InChIKey: LWYXFDXUMVEZKS-ZVFOLQIPSA-N
    InChI: InChI=1S/C21H27N3O2.C4H4O4/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)13(10-23(18)2)9-19(17)24(3)11-14;5-3(6)1-2-4(7)8/h5-8,10,14-15,19,25H,4,9,11-12H2,1-3H3,(H,22,26);1-2H,(H,5,6)(H,7,8)/b;2-1-/t14-,15+,19-;/m1./s1
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