配体家族 - 小分子和化合物库

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来氟米特
- ≥98%
CAS号: 75706-12-6

分子式: C₁₂H₉F₃N₂O₂ 分子量: 270.21

IUPAC Name: 5-methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide

SMILES: CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F

InChIKey: VHOGYURTWQBHIL-UHFFFAOYSA-N

InChI: 1S/C12H9F3N2O2/c1-7-10(6-16-19-7)11(18)17-9-4-2-8(3-5-9)12(13,14)15/h2-6H,1H3,(H,17,18)
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8-甲氧基补骨脂素
- ≥98%
CAS号: 298-81-7 EC号: 206-066-9

分子式: C₁₂H₈O₄ 分子量: 216.19

IUPAC Name: 9-methoxyfuro[3,2-g]chromen-7-one

SMILES: COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2

InChIKey: QXKHYNVANLEOEG-UHFFFAOYSA-N

InChI: 1S/C12H8O4/c1-14-12-10-8(4-5-15-10)6-7-2-3-9(13)16-11(7)12/h2-6H,1H3
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尼索地平
- ≥98%
CAS号: 63675-72-9 EC号: 264-407-7

分子式: C₂₀H₂₄N₂O₆ 分子量: 388.41

IUPAC Name: 3-O-methyl 5-O-(2-methylpropyl) 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

SMILES: CC1=C(C(C(=C(N1)C)C(=O)OCC(C)C)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC

InChIKey: VKQFCGNPDRICFG-UHFFFAOYSA-N

InChI: 1S/C20H24N2O6/c1-11(2)10-28-20(24)17-13(4)21-12(3)16(19(23)27-5)18(17)14-8-6-7-9-15(14)22(25)26/h6-9,11,18,21H,10H2,1-5H3
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诺考达唑
- ≥98%
CAS号: 31430-18-9 EC号: 250-626-5

分子式: C₁₄H₁₁N₃O₃S 分子量: 301.32

IUPAC Name: methyl N-[6-(thiophene-2-carbonyl)-1H-benzimidazol-2-yl]carbamate

SMILES: COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C3=CC=CS3

InChIKey: KYRVNWMVYQXFEU-UHFFFAOYSA-N

InChI: 1S/C14H11N3O3S/c1-20-14(19)17-13-15-9-5-4-8(7-10(9)16-13)12(18)11-3-2-6-21-11/h2-7H,1H3,(H2,15,16,17,19)
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利血平
- ≥98%(HPLC)
CAS号: 50-55-5 EC号: 200-047-9 Compound CID : 5770

分子式: C₃₃H₄₀N₂O₉ 分子量: 608.68

IUPAC Name: methyl (1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-(3,4,5-trimethoxybenzoyl)oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate

SMILES: COC1C(CC2CN3CCC4=C(C3CC2C1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC

InChIKey: QEVHRUUCFGRFIF-MDEJGZGSSA-N

InChI: 1S/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,See more
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丁苯那嗪
- ≥98%
CAS号: 58-46-8 EC号: 200-383-6 Compound CID : 6018

分子式: C₁₉H₂₇NO₃ 分子量: 317.42

IUPAC Name: 9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one

SMILES: CC(C)CC1CN2CCC3=CC(=C(C=C3C2CC1=O)OC)OC

InChIKey: MKJIEFSOBYUXJB-UHFFFAOYSA-N

InChI: 1S/C19H27NO3/c1-12(2)7-14-11-20-6-5-13-8-18(22-3)19(23-4)9-15(13)16(20)10-17(14)21/h8-9,12,14,16H,5-7,10-11H2,1-4H3
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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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芬苯达唑
- ≥98%
CAS号: 43210-67-9

分子式: C₁₅H₁₃N₃O₂S 分子量: 299.35

IUPAC Name: methyl N-(6-phenylsulfanyl-1H-benzimidazol-2-yl)carbamate

SMILES: COC(=O)NC1=NC2=C(N1)C=C(C=C2)SC3=CC=CC=C3

InChIKey: HDDSHPAODJUKPD-UHFFFAOYSA-N

InChI: 1S/C15H13N3O2S/c1-20-15(19)18-14-16-12-8-7-11(9-13(12)17-14)21-10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,18,19)
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凯他色林
- ≥97%
CAS号: 74050-98-9 EC号: 281-062-8, 277-680-2

分子式: C₂₂H₂₂FN₃O₃ 分子量: 395.43

IUPAC Name: 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1H-quinazoline-2,4-dione

SMILES: C1CN(CCC1C(=O)C2=CC=C(C=C2)F)CCN3C(=O)C4=CC=CC=C4NC3=O

InChIKey: FPCCSQOGAWCVBH-UHFFFAOYSA-N

InChI: 1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)
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氟他胺
- ≥98%(GC)
CAS号: 13311-84-7

分子式: C₁₁H₁₁F₃N₂O₃ 分子量: 276.22

IUPAC Name: 2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide

SMILES: CC(C)C(=O)NC1=CC(=C(C=C1)[N+](=O)[O-])C(F)(F)F

InChIKey: MKXKFYHWDHIYRV-UHFFFAOYSA-N

InChI: 1S/C11H11F3N2O3/c1-6(2)10(17)15-7-3-4-9(16(18)19)8(5-7)11(12,13)14/h3-6H,1-2H3,(H,15,17)
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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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三甲沙林(Trioxsalen)
- ≥98%(HPLC)
CAS号: 3902-71-4 Compound CID : 5585

分子式: C₁₄H₁₂O₃ 分子量: 228.25

IUPAC Name: 2,5,9-trimethylfuro[3,2-g]chromen-7-one

SMILES: CC1=CC(=O)OC2=C1C=C3C=C(OC3=C2C)C

InChIKey: FMHHVULEAZTJMA-UHFFFAOYSA-N

InChI: 1S/C14H12O3/c1-7-4-12(15)17-14-9(3)13-10(6-11(7)14)5-8(2)16-13/h4-6H,1-3H3
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