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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奥氮平
- ≥99%
CAS号: 132539-06-1

分子式: C₁₇H₂₀N₄S 分子量: 312.43

IUPAC Name: 2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepine

SMILES: CC1=CC2=C(S1)NC3=CC=CC=C3N=C2N4CCN(CC4)C

InChIKey: KVWDHTXUZHCGIO-UHFFFAOYSA-N

InChI: 1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3
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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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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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氯氮平
- ≥98%
CAS号: 5786-21-0

分子式: C₁₈H₁₉ClN₄ 分子量: 326.82

IUPAC Name: 3-chloro-6-(4-methylpiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepine

SMILES: CN1CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42

InChIKey: QZUDBNBUXVUHMW-UHFFFAOYSA-N

InChI: 1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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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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甘罗溴铵
- ≥98%(HPLC)
CAS号: 596-51-0 EC号: 209-887-0

分子式: C₁₉H₂₈NO₃·Br 分子量: 398.33

IUPAC Name: (1,1-dimethylpyrrolidin-1-ium-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate;bromide

SMILES: C[N+]1(CCC(C1)OC(=O)C(C2CCCC2)(C3=CC=CC=C3)O)C.[Br-]

InChIKey: VPNYRYCIDCJBOM-UHFFFAOYSA-M

InChI: 1S/C19H28NO3.BrH/c1-20(2)13-12-17(14-20)23-18(21)19(22,16-10-6-7-11-16)15-8-4-3-5-9-15;/h3-5,8-9,16-17,22H,6-7,10-14H2,1-2H3;1H/q+1;/p-1
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苄索氯铵
- ≥97%
CAS号: 121-54-0 EC号: 204-479-9

分子式: C₂₇H₄₂ClNO₂ 分子量: 448.08

IUPAC Name: benzyl-dimethyl-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium;chloride

SMILES: CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCC[N+](C)(C)CC2=CC=CC=C2.[Cl-]

InChIKey: UREZNYTWGJKWBI-UHFFFAOYSA-M

InChI: 1S/C27H42NO2.ClH/c1-26(2,3)22-27(4,5)24-13-15-25(16-14-24)30-20-19-29-18-17-28(6,7)21-23-11-9-8-10-12-23;/h8-16H,17-22H2,1-7H3;1H/q+1;/p-1
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脱羧氯雷他定
- ≥98%(HPLC)(T)
CAS号: 100643-71-8

分子式: C₁₉H₁₉ClN₂ 分子量: 310.83

IUPAC Name: 13-chloro-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene

SMILES: C1CC2=C(C=CC(=C2)Cl)C(=C3CCNCC3)C4=C1C=CC=N4

InChIKey: JAUOIFJMECXRGI-UHFFFAOYSA-N

InChI: 1S/C19H19ClN2/c20-16-5-6-17-15(12-16)4-3-14-2-1-9-22-19(14)18(17)13-7-10-21-11-8-13/h1-2,5-6,9,12,21H,3-4,7-8,10-11H2
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