配体家族 - 小分子和化合物库

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兰索拉唑
- ≥98%
CAS号: 103577-45-3

分子式: C₁₆H₁₄F₃N₃O₂S 分子量: 369.36

IUPAC Name: 2-[[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfinyl]-1H-benzimidazole

SMILES: CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F

InChIKey: MJIHNNLFOKEZEW-UHFFFAOYSA-N

InChI: 1S/C16H14F3N3O2S/c1-10-13(20-7-6-14(10)24-9-16(17,18)19)8-25(23)15-21-11-4-2-3-5-12(11)22-15/h2-7H,8-9H2,1H3,(H,21,22)
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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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托吡卡胺
- ≥99%
CAS号: 1508-75-4 EC号: 216-140-2 Compound CID : 5593

分子式: C₁₇H₂₀N₂O₂ 分子量: 284.35

IUPAC Name: N-ethyl-3-hydroxy-2-phenyl-N-(pyridin-4-ylmethyl)propanamide

SMILES: CCN(CC1=CC=NC=C1)C(=O)C(CO)C2=CC=CC=C2

InChIKey: BGDKAVGWHJFAGW-UHFFFAOYSA-N

InChI: 1S/C17H20N2O2/c1-2-19(12-14-8-10-18-11-9-14)17(21)16(13-20)15-6-4-3-5-7-15/h3-11,16,20H,2,12-13H2,1H3
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曲格列酮
- ≥96%
CAS号: 97322-87-7 Compound CID : 5591

分子式: C₂₄H₂₇NO₅S 分子量: 441.54

IUPAC Name: 5-[[4-[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

SMILES: CC1=C(C2=C(CCC(O2)(C)COC3=CC=C(C=C3)CC4C(=O)NC(=O)S4)C(=C1O)C)C

InChIKey: GXPHKUHSUJUWKP-UHFFFAOYSA-N

InChI: 1S/C24H27NO5S/c1-13-14(2)21-18(15(3)20(13)26)9-10-24(4,30-21)12-29-17-7-5-16(6-8-17)11-19-22(27)25-23(28)31-19/h5-8,19,26H,9-12H2,1-4H3,(H,25,27,28)
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托萘酯
- ≥98%
CAS号: 2398-96-1 EC号: 219-266-6 Compound CID : 5510

分子式: C₁₉H₁₇NOS 分子量: 307.41

IUPAC Name: O-naphthalen-2-yl N-methyl-N-(3-methylphenyl)carbamothioate

SMILES: CC1=CC(=CC=C1)N(C)C(=S)OC2=CC3=CC=CC=C3C=C2

InChIKey: FUSNMLFNXJSCDI-UHFFFAOYSA-N

InChI: 1S/C19H17NOS/c1-14-6-5-9-17(12-14)20(2)19(22)21-18-11-10-15-7-3-4-8-16(15)13-18/h3-13H,1-2H3
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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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艾地苯醌
- ≥98%
CAS号: 58186-27-9

分子式: C₁₉H₃₀O₅ 分子量: 338.44

IUPAC Name: 2-(10-hydroxydecyl)-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione

SMILES: CC1=C(C(=O)C(=C(C1=O)OC)OC)CCCCCCCCCCO

InChIKey: JGPMMRGNQUBGND-UHFFFAOYSA-N

InChI: 1S/C19H30O5/c1-14-15(12-10-8-6-4-5-7-9-11-13-20)17(22)19(24-3)18(23-2)16(14)21/h20H,4-13H2,1-3H3
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非那甾胺
- ≥98%
CAS号: 98319-26-7

分子式: C₂₃H₃₆N₂O₂ 分子量: 372.55

IUPAC Name: (1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-tert-butyl-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide

SMILES: CC12CCC3C(C1CCC2C(=O)NC(C)(C)C)CCC4C3(C=CC(=O)N4)C

InChIKey: DBEPLOCGEIEOCV-WSBQPABSSA-N

InChI: 1S/C23H36N2O2/c1-21(2,3)25-20(27)17-8-7-15-14-6-9-18-23(5,13-11-19(26)24-18)16(14)10-12-22(15,17)4/h11,13-18H,6-10,12H2,1-5H3,(H,24,26)(H,25,27)/t14-,15-,16-,17+,18+,22-,23+/m0/s1
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吡贝地尔
- ≥98%(HPLC)
CAS号: 3605-01-4 Compound CID : 4850

分子式: C₁₆H₁₈N₄O₂ 分子量: 298.35

IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidine

SMILES: C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=CC=N4

InChIKey: OQDPVLVUJFGPGQ-UHFFFAOYSA-N

InChI: 1S/C16H18N4O2/c1-4-17-16(18-5-1)20-8-6-19(7-9-20)11-13-2-3-14-15(10-13)22-12-21-14/h1-5,10H,6-9,11-12H2
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(±)-舒必利
- ≥98%(HPLC)
CAS号: 15676-16-1

分子式: C₁₅H₂₃N₃O₄S 分子量: 341.43

IUPAC Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-sulfamoylbenzamide

SMILES: CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC

InChIKey: BGRJTUBHPOOWDU-UHFFFAOYSA-N

InChI: 1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)
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Indisulam,分子胶
- ≥99%
CAS号: 165668-41-7

分子式: C₁₄H₁₂ClN₃O₄S₂ 分子量: 385.85

IUPAC Name: 4-N-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonamide

SMILES: C1=CC2=C(C(=C1)NS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N)NC=C2Cl

InChIKey: SETFNECMODOHTO-UHFFFAOYSA-N

InChI: 1S/C14H12ClN3O4S2/c15-12-8-17-14-11(12)2-1-3-13(14)18-24(21,22)10-6-4-9(5-7-10)23(16,19)20/h1-8,17-18H,(H2,16,19,20)
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NS 398,COX-2抑制剂
- ≥98%
CAS号: 123653-11-2

分子式: C₁₃H₁₈N₂O₅S 分子量: 314.36

IUPAC Name: N-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide

SMILES: CS(=O)(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC2CCCCC2

InChIKey: KTDZCOWXCWUPEO-UHFFFAOYSA-N

InChI: 1S/C13H18N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h7-9,11,14H,2-6H2,1H3
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