合成有机化合物配体 - 小分子和化合物库

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安帕莱克斯
- ≥95%
CAS号: 154235-83-3

分子式: C₁₄H₁₅N₃O 分子量: 241.29

IUPAC Name: piperidin-1-yl(quinoxalin-6-yl)methanone

SMILES: C1CCN(CC1)C(=O)C2=CC3=NC=CN=C3C=C2

InChIKey: ANDGGVOPIJEHOF-UHFFFAOYSA-N

InChI: 1S/C14H15N3O/c18-14(17-8-2-1-3-9-17)11-4-5-12-13(10-11)16-7-6-15-12/h4-7,10H,1-3,8-9H2
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1-甲基-L-色氨酸
- ≥95%
CAS号: 21339-55-9

分子式: C₁₂H₁₄N₂O₂ 分子量: 218.25

IUPAC Name: (2S)-2-amino-3-(1-methylindol-3-yl)propanoic acid

SMILES: CN1C=C(C2=CC=CC=C21)CC(C(=O)O)N

InChIKey: ZADWXFSZEAPBJS-JTQLQIEISA-N

InChI: 1S/C12H14N2O2/c1-14-7-8(6-10(13)12(15)16)9-4-2-3-5-11(9)14/h2-5,7,10H,6,13H2,1H3,(H,15,16)/t10-/m0/s1
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5-(N-乙基-N-异丙基)阿米洛利(EIPA)
- ≥95%
CAS号: 1154-25-2

分子式: C₁₁H₁₈ClN₇O 分子量: 299.76

IUPAC Name: 3-amino-6-chloro-N-(diaminomethylidene)-5-[ethyl(propan-2-yl)amino]pyrazine-2-carboxamide

SMILES: CCN(C1=NC(=C(N=C1Cl)C(=O)N=C(N)N)N)C(C)C

InChIKey: QDERNBXNXJCIQK-UHFFFAOYSA-N

InChI: 1S/C11H18ClN7O/c1-4-19(5(2)3)9-7(12)16-6(8(13)17-9)10(20)18-11(14)15/h5H,4H2,1-3H3,(H2,13,17)(H4,14,15,18,20)
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TWS119,细胞渗透性GSK-3β抑制剂
- ≥95%
CAS号: 601514-19-6 Compound CID : 9549289

分子式: C₁₈H₁₄N₄O₂ 分子量: 318.33

IUPAC Name: 3-[[6-(3-aminophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenol

SMILES: C1=CC(=CC(=C1)N)C2=CC3=C(N2)N=CN=C3OC4=CC=CC(=C4)O

InChIKey: VPVLEBIVXZSOMQ-UHFFFAOYSA-N

InChI: 1S/C18H14N4O2/c19-12-4-1-3-11(7-12)16-9-15-17(22-16)20-10-21-18(15)24-14-6-2-5-13(23)8-14/h1-10,23H,19H2,(H,20,21,22)
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BMS-265246,CDK抑制剂
- ≥95%
CAS号: 582315-72-8

分子式: C₁₈H₁₇F₂N₃O₂ 分子量: 345.34

IUPAC Name: (4-butoxy-2H-pyrazolo[3,4-b]pyridin-5-yl)-(2,6-difluoro-4-methylphenyl)methanone

SMILES: CCCCOC1=C(C=NC2=NNC=C12)C(=O)C3=C(C=C(C=C3F)C)F

InChIKey: SCFMWQIQBVZOQR-UHFFFAOYSA-N

InChI: 1S/C18H17F2N3O2/c1-3-4-5-25-17-11(8-21-18-12(17)9-22-23-18)16(24)15-13(19)6-10(2)7-14(15)20/h6-9H,3-5H2,1-2H3,(H,21,22,23)
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JMV 449,Bcr-Abl/Lyn酪氨酸激酶的有效双重抑制剂
- ≥95%
CAS号: 859212-16-1

分子式: C₃₀H₃₁F₃N₈O 分子量: 576.62

IUPAC Name: 4-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]-N-[4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide

SMILES: CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)CN3CCC(C3)N(C)C)C(F)(F)F)NC4=NC=CC(=N4)C5=CN=CN=C5

InChIKey: ZGBAJMQHJDFTQJ-DEOSSOPVSA-N

InChI: 1S/C30H31F3N8O/c1-19-4-7-23(13-27(19)39-29-36-10-8-26(38-29)22-14-34-18-35-15-22)37-28(42)20-5-6-21(25(12-20)30(31,32)33)16-41-11-9-24(17-41)40(2)3/h4-8,10,12-15,18,24H,9,11,16-17H2,1-3H3,(H,37,42)(H,See more
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Brivanib Alaninate (BMS-582664),VEGFR2抑制剂
- ≥95%
CAS号: 649735-63-7

分子式: C₂₂H₂₄FN₅O₄ 分子量: 441.46

IUPAC Name: [(2R)-1-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-yl] (2S)-2-aminopropanoate

SMILES: CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NN4C3=C(C(=C4)OCC(C)OC(=O)C(C)N)C

InChIKey: LTEJRLHKIYCEOX-OCCSQVGLSA-N

InChI: 1S/C22H24FN5O4/c1-11-7-15-16(27-11)5-6-17(19(15)23)32-21-20-13(3)18(8-28(20)26-10-25-21)30-9-12(2)31-22(29)14(4)24/h5-8,10,12,14,27H,9,24H2,1-4H3/t12-,14+/m1/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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克林沙星
- ≥95%
CAS号: 105956-97-6

分子式: C₁₇H₁₇ClFN₃O₃ 分子量: 365.79

IUPAC Name: 7-(3-aminopyrrolidin-1-yl)-8-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid

SMILES: C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)Cl)N4CCC(C4)N)F)C(=O)O

InChIKey: QGPKADBNRMWEQR-UHFFFAOYSA-N

InChI: 1S/C17H17ClFN3O3/c18-13-14-10(5-12(19)15(13)21-4-3-8(20)6-21)16(23)11(17(24)25)7-22(14)9-1-2-9/h5,7-9H,1-4,6,20H2,(H,24,25)
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CEP-32496
- ≥95%
CAS号: 1188910-76-0

分子式: C₂₄H₂₂F₃N₅O₅ 分子量: 517.46

IUPAC Name: 1-[3-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]urea

SMILES: CC(C)(C1=CC(=NO1)NC(=O)NC2=CC(=CC=C2)OC3=NC=NC4=CC(=C(C=C43)OC)OC)C(F)(F)F

InChIKey: DKNUPRMJNUQNHR-UHFFFAOYSA-N

InChI: 1S/C24H22F3N5O5/c1-23(2,24(25,26)27)19-11-20(32-37-19)31-22(33)30-13-6-5-7-14(8-13)36-21-15-9-17(34-3)18(35-4)10-16(15)28-12-29-21/h5-12H,1-4H3,(H2,30,31,32,33)
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头孢拉定
- ≥95%
CAS号: 38821-53-3 EC号: 254-137-8

分子式: C₁₆H₁₉N₃O₄S 分子量: 349.4

IUPAC Name: (6R,7R)-7-[[(2R)-2-amino-2-cyclohexa-1,4-dien-1-ylacetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

SMILES: CC1=C(N2C(C(C2=O)NC(=O)C(C3=CCC=CC3)N)SC1)C(=O)O

InChIKey: RDLPVSKMFDYCOR-UEKVPHQBSA-N

InChI: 1S/C16H19N3O4S/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h2-3,6,10-11,15H,4-5,7,17H2,1H3,(H,18,20)(H,22,23)/t10-,11-,15-/m1/s1
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二苯基硼酸酐
- ≥95%
CAS号: 4426-21-5

分子式: (C₆H₅)₂BOB(C₆H₅)₂ 分子量: 346.04

IUPAC Name: diphenylboranyloxy(diphenyl)borane

SMILES: B(C1=CC=CC=C1)(C2=CC=CC=C2)OB(C3=CC=CC=C3)C4=CC=CC=C4

InChIKey: SNQFEECGHGUHBK-UHFFFAOYSA-N

InChI: 1S/C24H20B2O/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22)27-26(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H
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