配体家族 - 小分子和化合物库

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甲氧氯普胺
- ≥98%
CAS号: 364-62-5 EC号: 206-662-9

分子式: C₁₄H₂₂ClN₃O₂ 分子量: 299.8

IUPAC Name: 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide

SMILES: CCN(CC)CCNC(=O)C1=CC(=C(C=C1OC)N)Cl

InChIKey: TTWJBBZEZQICBI-UHFFFAOYSA-N

InChI: 1S/C14H22ClN3O2/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h8-9H,4-7,16H2,1-3H3,(H,17,19)
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米尔塔扎平
- ≥98%
CAS号: 85650-52-8

分子式: C₁₇H₁₉N₃ 分子量: 265.35

IUPAC Name: 5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene

SMILES: CN1CCN2C(C1)C3=CC=CC=C3CC4=C2N=CC=C4

InChIKey: RONZAEMNMFQXRA-UHFFFAOYSA-N

InChI: 1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3
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奎尼丁
- ≥98%
- contains 5-15% Dihydroquinidine
CAS号: 56-54-2 EC号: 200-279-0

分子式: C₂₀H₂₄N₂O₂ 分子量: 324.42

IUPAC Name: (S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol

SMILES: COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O

InChIKey: LOUPRKONTZGTKE-LHHVKLHASA-N

InChI: 1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19+,20-/m0/s1
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罗格列酮
- ≥98%
CAS号: 122320-73-4 Compound CID : 77999

分子式: C₁₈H₁₉N₃O₃S 分子量: 357.43

IUPAC Name: 5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

SMILES: CN(CCOC1=CC=C(C=C1)CC2C(=O)NC(=O)S2)C3=CC=CC=N3

InChIKey: YASAKCUCGLMORW-UHFFFAOYSA-N

InChI: 1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,15H,10-12H2,1H3,(H,20,22,23)
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(R)-巴氯芬
- ≥98%
CAS号: 69308-37-8 EC号: 641-399-7

分子式: C₁₀H₁₂ClNO₂ 分子量: 213.66

IUPAC Name: (3R)-4-amino-3-(4-chlorophenyl)butanoic acid

SMILES: C1=CC(=CC=C1C(CC(=O)O)CN)Cl

InChIKey: KPYSYYIEGFHWSV-QMMMGPOBSA-N

InChI: 1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)/t8-/m0/s1
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苯扎贝特
- ≥98%
CAS号: 41859-67-0 EC号: 255-567-9

分子式: C₁₉H₂₀ClNO₄ 分子量: 361.82

IUPAC Name: 2-[4-[2-[(4-chlorobenzoyl)amino]ethyl]phenoxy]-2-methylpropanoic acid

SMILES: CC(C)(C(=O)O)OC1=CC=C(C=C1)CCNC(=O)C2=CC=C(C=C2)Cl

InChIKey: IIBYAHWJQTYFKB-UHFFFAOYSA-N

InChI: 1S/C19H20ClNO4/c1-19(2,18(23)24)25-16-9-3-13(4-10-16)11-12-21-17(22)14-5-7-15(20)8-6-14/h3-10H,11-12H2,1-2H3,(H,21,22)(H,23,24)
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3-溴-7-硝基吲唑
- ≥95%
CAS号: 74209-34-0

分子式: C₇H₄BrN₃O₂ 分子量: 242.03

IUPAC Name: 3-bromo-7-nitro-2H-indazole

SMILES: C1=CC2=C(NN=C2C(=C1)[N+](=O)[O-])Br

InChIKey: NFSTZPMYAZRZPC-UHFFFAOYSA-N

InChI: 1S/C7H4BrN3O2/c8-7-4-2-1-3-5(11(12)13)6(4)9-10-7/h1-3H,(H,9,10)
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环丙贝特
- ≥98%(GC)
CAS号: 52214-84-3 EC号: 257-744-6

分子式: C₁₃H₁₄Cl₂O₃ 分子量: 289.15

IUPAC Name: 2-[4-(2,2-dichlorocyclopropyl)phenoxy]-2-methylpropanoic acid

SMILES: CC(C)(C(=O)O)OC1=CC=C(C=C1)C2CC2(Cl)Cl

InChIKey: KPSRODZRAIWAKH-UHFFFAOYSA-N

InChI: 1S/C13H14Cl2O3/c1-12(2,11(16)17)18-9-5-3-8(4-6-9)10-7-13(10,14)15/h3-6,10H,7H2,1-2H3,(H,16,17)
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法舒地尔
- ≥98%(HPLC)
CAS号: 103745-39-7

分子式: C₁₄H₁₇N₃O₂S 分子量: 291.37

IUPAC Name: 5-(1,4-diazepan-1-ylsulfonyl)isoquinoline

SMILES: C1CNCCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChIKey: NGOGFTYYXHNFQH-UHFFFAOYSA-N

InChI: 1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2
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吉非罗齐
- ≥99%
CAS号: 25812-30-0 EC号: 247-280-2

分子式: C₁₅H₂₂O₃ 分子量: 250.33

IUPAC Name: 5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoic acid

SMILES: CC1=CC(=C(C=C1)C)OCCCC(C)(C)C(=O)O

InChIKey: HEMJJKBWTPKOJG-UHFFFAOYSA-N

InChI: 1S/C15H22O3/c1-11-6-7-12(2)13(10-11)18-9-5-8-15(3,4)14(16)17/h6-7,10H,5,8-9H2,1-4H3,(H,16,17)
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培高利特
- ≥97%(HPLC)
CAS号: 66104-22-1 Compound CID : 47811

分子式: C₁₉H₂₆N₂S 分子量: 314.49

IUPAC Name: (6aR,9R,10aR)-9-(methylsulfanylmethyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline

SMILES: CCCN1CC(CC2C1CC3=CNC4=CC=CC2=C34)CSC

InChIKey: YEHCICAEULNIGD-MZMPZRCHSA-N

InChI: 1S/C19H26N2S/c1-3-7-21-11-13(12-22-2)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3/t13-,16-,18-/m1/s1
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奋乃静
- ≥97%
CAS号: 58-39-9 Compound CID : 4748

分子式: C₂₁H₂₆ClN₃OS 分子量: 403.97

IUPAC Name: 2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethanol

SMILES: C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)CCO

InChIKey: RGCVKNLCSQQDEP-UHFFFAOYSA-N

InChI: 1S/C21H26ClN3OS/c22-17-6-7-21-19(16-17)25(18-4-1-2-5-20(18)27-21)9-3-8-23-10-12-24(13-11-23)14-15-26/h1-2,4-7,16,26H,3,8-15H2
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