合成有机化合物配体 - 小分子和化合物库

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纳曲酮
- ≥98%
CAS号: 16590-41-3

分子式: C₂₀H₂₃NO₄ 分子量: 341.4

IUPAC Name: (4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one

SMILES: C1CC1CN2CCC34C5C(=O)CCC3(C2CC6=C4C(=C(C=C6)O)O5)O

InChIKey: DQCKKXVULJGBQN-XFWGSAIBSA-N

InChI: 1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1
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NPS-2143,钙敏感受体 (CaSR) 拮抗剂
- ≥98%
CAS号: 284035-33-2

分子式: C₂₄H₂₅ClN₂O₂ 分子量: 408.93

IUPAC Name: 2-chloro-6-[(2R)-2-hydroxy-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propoxy]benzonitrile

SMILES: CC(C)(CC1=CC2=CC=CC=C2C=C1)NCC(COC3=C(C(=CC=C3)Cl)C#N)O

InChIKey: PZUJQWHTIRWCID-HXUWFJFHSA-N

InChI: 1S/C24H25ClN2O2/c1-24(2,13-17-10-11-18-6-3-4-7-19(18)12-17)27-15-20(28)16-29-23-9-5-8-22(25)21(23)14-26/h3-12,20,27-28H,13,15-16H2,1-2H3/t20-/m1/s1
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SB1317
- ≥98%
CAS号: 937270-47-8 Compound CID : 16739650

分子式: C₂₃H₂₄N₄O 分子量: 372.46

IUPAC Name: (16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene

SMILES: CN1CC=CCCOC2=CC=CC(=C2)C3=NC(=NC=C3)NC4=CC=CC(=C4)C1

InChIKey: VXBAJLGYBMTJCY-NSCUHMNNSA-N

InChI: 1S/C23H24N4O/c1-27-13-3-2-4-14-28-21-10-6-8-19(16-21)22-11-12-24-23(26-22)25-20-9-5-7-18(15-20)17-27/h2-3,5-12,15-16H,4,13-14,17H2,1H3,(H,24,25,26)/b3-2+
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Taranabant,激动剂
- ≥98%
CAS号: 701977-09-5 Compound CID : 11226090

分子式: C₂₇H₂₅ClF₃N₃O₂ 分子量: 515.97

IUPAC Name: N-[(2S,3S)-4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl]-2-methyl-2-[5-(trifluoromethyl)pyridin-2-yl]oxypropanamide

SMILES: CC(C(CC1=CC=C(C=C1)Cl)C2=CC=CC(=C2)C#N)NC(=O)C(C)(C)OC3=NC=C(C=C3)C(F)(F)F

InChIKey: QLYKJCMUNUWAGO-GAJHUEQPSA-N

InChI: 1S/C27H25ClF3N3O2/c1-17(34-25(35)26(2,3)36-24-12-9-21(16-33-24)27(29,30)31)23(14-18-7-10-22(28)11-8-18)20-6-4-5-19(13-20)15-32/h4-13,16-17,23H,14H2,1-3H3,(H,34,35)/t17-,23+/m0/s1
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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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秋水仙碱
- ≥98%
CAS号: 64-86-8 EC号: 200-598-5

分子式: C₂₂H₂₅NO₆ 分子量: 399.44

IUPAC Name: N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide

SMILES: CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC

InChIKey: IAKHMKGGTNLKSZ-INIZCTEOSA-N

InChI: 1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m0/s1
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秋水仙碱
- ≥98%(HPLC)
CAS号: 64-86-8 EC号: 200-598-5

分子式: C₂₂H₂₅NO₆ 分子量: 399.44

IUPAC Name: N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide

SMILES: CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC

InChIKey: IAKHMKGGTNLKSZ-INIZCTEOSA-N

InChI: 1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m0/s1
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克立咪唑
- ≥98%
CAS号: 442-52-4 EC号: 207-133-5

分子式: C₁₉H₂₀ClN₃ 分子量: 325.84

IUPAC Name: 1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole

SMILES: C1CCN(C1)CC2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)Cl

InChIKey: CJXAEXPPLWQRFR-UHFFFAOYSA-N

InChI: 1S/C19H20ClN3/c20-16-9-7-15(8-10-16)13-23-18-6-2-1-5-17(18)21-19(23)14-22-11-3-4-12-22/h1-2,5-10H,3-4,11-14H2
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克霉唑
- ≥98%(HPLC)
CAS号: 23593-75-1 EC号: 245-764-8

分子式: C₂₂H₁₇ClN₂ 分子量: 344.84

IUPAC Name: 1-[(2-chlorophenyl)-diphenylmethyl]imidazole

SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3Cl)N4C=CN=C4

InChIKey: VNFPBHJOKIVQEB-UHFFFAOYSA-N

InChI: 1S/C22H17ClN2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H
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非氨酯
- ≥99%
CAS号: 25451-15-4

分子式: C₁₁H₁₄N₂O₄ 分子量: 238.24

IUPAC Name: (3-carbamoyloxy-2-phenylpropyl) carbamate

SMILES: C1=CC=C(C=C1)C(COC(=O)N)COC(=O)N

InChIKey: WKGXYQFOCVYPAC-UHFFFAOYSA-N

InChI: 1S/C11H14N2O4/c12-10(14)16-6-9(7-17-11(13)15)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,12,14)(H2,13,15)
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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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GW1929,PPARγ激动剂
- ≥98%
CAS号: 196808-24-9

分子式: C₃₀H₂₉N₃O₄ 分子量: 495.57

IUPAC Name: (2S)-2-(2-benzoylanilino)-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid

SMILES: CN(CCOC1=CC=C(C=C1)CC(C(=O)O)NC2=CC=CC=C2C(=O)C3=CC=CC=C3)C4=CC=CC=N4

InChIKey: QTQMRBZOBKYXCG-MHZLTWQESA-N

InChI: 1S/C30H29N3O4/c1-33(28-13-7-8-18-31-28)19-20-37-24-16-14-22(15-17-24)21-27(30(35)36)32-26-12-6-5-11-25(26)29(34)23-9-3-2-4-10-23/h2-18,27,32H,19-21H2,1H3,(H,35,36)/t27-/m0/s1
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