免疫配体 - 小分子和化合物库

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乙酰水杨酸
- ≥99%
CAS号 : 50-78-2 Compound CID : 2244

分子式: C₉H₈O₄ 分子量: 180.16

IUPAC Name: 2-acetyloxybenzoic acid

SMILES: CC(=O)OC1=CC=CC=C1C(=O)O

InChIKey: BSYNRYMUTXBXSQ-UHFFFAOYSA-N

InChI: InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)
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罗美昔布
- ≥98%
CAS号 : 220991-20-8 Compound CID : 151166

分子式: C₁₅H₁₃ClFNO₂ 分子量: 293.72

IUPAC Name: 2-[2-(2-chloro-6-fluoroanilino)-5-methylphenyl]acetic acid

SMILES: CC1=CC(=C(C=C1)NC2=C(C=CC=C2Cl)F)CC(=O)O

InChIKey: KHPKQFYUPIUARC-UHFFFAOYSA-N

InChI: InChI=1S/C15H13ClFNO2/c1-9-5-6-13(10(7-9)8-14(19)20)18-15-11(16)3-2-4-12(15)17/h2-7,18H,8H2,1H3,(H,19,20)
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白藜芦醇
CAS号 : 501-36-0 Compound CID : 445154

分子式: C₁₄H₁₂O₃ 分子量: 228.24

IUPAC Name: 5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol

SMILES: C1=CC(=CC=C1C=CC2=CC(=CC(=C2)O)O)O

InChIKey: LUKBXSAWLPMMSZ-OWOJBTEDSA-N

InChI: InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+
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依托考昔
- ≥98%
CAS号 : 202409-33-4 Compound CID : 123619

分子式: C₁₈H₁₅ClN₂O₂S 分子量: 358.84

IUPAC Name: 5-chloro-2-(6-methylpyridin-3-yl)-3-(4-methylsulfonylphenyl)pyridine

SMILES: CC1=NC=C(C=C1)C2=C(C=C(C=N2)Cl)C3=CC=C(C=C3)S(=O)(=O)C

InChIKey: MNJVRJDLRVPLFE-UHFFFAOYSA-N

InChI: InChI=1S/C18H15ClN2O2S/c1-12-3-4-14(10-20-12)18-17(9-15(19)11-21-18)13-5-7-16(8-6-13)24(2,22)23/h3-11H,1-2H3
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依托度酸
- ≥98%
CAS号 : 41340-25-4 Compound CID : 3308

分子式: C₁₇H₂₁NO₃ 分子量: 287.35

IUPAC Name: 2-(1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid

SMILES: CCC1=C2C(=CC=C1)C3=C(N2)C(OCC3)(CC)CC(=O)O

InChIKey: NNYBQONXHNTVIJ-UHFFFAOYSA-N

InChI: InChI=1S/C17H21NO3/c1-3-11-6-5-7-12-13-8-9-21-17(4-2,10-14(19)20)16(13)18-15(11)12/h5-7,18H,3-4,8-10H2,1-2H3,(H,19,20)
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卡洛芬
- ≥98%(HPLC)
CAS号 : 53716-49-7 Compound CID : 2581

分子式: C₁₅H₁₂ClNO₂ 分子量: 273.72

IUPAC Name: 2-(6-chloro-9H-carbazol-2-yl)propanoic acid

SMILES: CC(C1=CC2=C(C=C1)C3=C(N2)C=CC(=C3)Cl)C(=O)O

InChIKey: PUXBGTOOZJQSKH-UHFFFAOYSA-N

InChI: InChI=1S/C15H12ClNO2/c1-8(15(18)19)9-2-4-11-12-7-10(16)3-5-13(12)17-14(11)6-9/h2-8,17H,1H3,(H,18,19)
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2-(2,6-二氯苯氨基)苯乙酸
- ≥98%
CAS号 : 15307-86-5

分子式: C₁₄H₁₁Cl₂NO₂ 分子量: 296.15

IUPAC Name: 2-[2-(2,6-dichloroanilino)phenyl]acetic acid

SMILES: C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC=C2Cl)Cl

InChIKey: DCOPUUMXTXDBNB-UHFFFAOYSA-N

InChI: InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)
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酮咯酸
- ≥98%
CAS号 : 74103-06-3 Compound CID : 3826

分子式: C₁₅H₁₃NO₃ 分子量: 255.27

IUPAC Name: 5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid

SMILES: C1CN2C(=CC=C2C(=O)C3=CC=CC=C3)C1C(=O)O

InChIKey: OZWKMVRBQXNZKK-UHFFFAOYSA-N

InChI: InChI=1S/C15H13NO3/c17-14(10-4-2-1-3-5-10)13-7-6-12-11(15(18)19)8-9-16(12)13/h1-7,11H,8-9H2,(H,18,19)
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Ponesimod,磷酸鞘氨醇受体激动剂
- ≥97%
CAS号 : 854107-55-4 Compound CID : 11363176

分子式: C23H25ClN2O4S 分子量: 460.974

IUPAC Name: (5Z)-5-[[3-chloro-4-[(2R)-2,3-dihydroxypropoxy]phenyl]methylidene]-3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one

SMILES: CCCN=C1N(C(=O)C(=CC2=CC(=C(C=C2)OCC(CO)O)Cl)S1)C3=CC=CC=C3C

InChIKey: LPAUOXUZGSBGDU-ULCCENQXSA-N

InChI: InChI=1S/C23H25ClN2O4S/c1-3-10-25-23-26(19-7-5-4-6-15(19)2)22(29)21(31-23)12-16-8-9-20(18(24)11-16)30-14-17(28)13-27/h4-9,11-12,17,27-28H,3,10,13-14H2,1-2H3/b21-12-,25-23?/t17-/m1/s1
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芬戈莫德
- ≥97%
CAS号 : 162359-55-9 Compound CID : 107970

分子式: C₁₉H₃₃NO₂ 分子量: 307.47

IUPAC Name: 2-amino-2-[2-(4-octylphenyl)ethyl]propane-1,3-diol

SMILES: CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N

InChIKey: KKGQTZUTZRNORY-UHFFFAOYSA-N

InChI: InChI=1S/C19H33NO2/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-22/h9-12,21-22H,2-8,13-16,20H2,1H3
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甲氯芬那酸
- ≥98%
CAS号 : 644-62-2 Compound CID : 4037

分子式: C₁₄H₁₁Cl₂NO₂ 分子量: 296.15

IUPAC Name: 2-(2,6-dichloro-3-methylanilino)benzoic acid

SMILES: CC1=C(C(=C(C=C1)Cl)NC2=CC=CC=C2C(=O)O)Cl

InChIKey: SBDNJUWAMKYJOX-UHFFFAOYSA-N

InChI: InChI=1S/C14H11Cl2NO2/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19/h2-7,17H,1H3,(H,18,19)
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辛波莫德(BAF312)
- ≥98%
CAS号 : 1230487-00-9 Compound CID : 44599207

分子式: C₂₉H₃₅F₃N₂O₃ 分子量: 516.6

IUPAC Name: 1-[[4-[(E)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-C-methylcarbonimidoyl]-2-ethylphenyl]methyl]azetidine-3-carboxylic acid

SMILES: CCC1=C(C=CC(=C1)C(=NOCC2=CC(=C(C=C2)C3CCCCC3)C(F)(F)F)C)CN4CC(C4)C(=O)O

InChIKey: KIHYPELVXPAIDH-HNSNBQBZSA-N

InChI: InChI=1S/C29H35F3N2O3/c1-3-21-14-23(10-11-24(21)15-34-16-25(17-34)28(35)36)19(2)33-37-18-20-9-12-26(22-7-5-4-6-8-22)27(13-20)29(30,31)32/h9-14,22,25H,3-8,15-18H2,1-2H3,(H,35,36)/b33-19+
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