按“信号通路”分类 - 小分子和化合物库

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杀螟丹
- ≥99%
CAS号: 15263-53-3

分子式: C₇H₁₅N₃O₂S₂ 分子量: 273.81

IUPAC Name: S-[3-carbamoylsulfanyl-2-(dimethylamino)propyl] carbamothioate

SMILES: CN(C)C(CSC(=O)N)CSC(=O)N

InChIKey: IRUJZVNXZWPBMU-UHFFFAOYSA-N

InChI: 1S/C7H15N3O2S2/c1-10(2)5(3-13-6(8)11)4-14-7(9)12/h5H,3-4H2,1-2H3,(H2,8,11)(H2,9,12)
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涕灭威砜
CAS号: 1646-88-4 EC号: 216-710-0

分子式: C₇H₁₄N₂O₄S 分子量: 222.26

IUPAC Name: [(E)-(2-methyl-2-methylsulfonylpropylidene)amino] N-methylcarbamate

SMILES: CC(C)(C=NOC(=O)NC)S(=O)(=O)C

InChIKey: YRRKLBAKDXSTNC-WEVVVXLNSA-N

InChI: 1S/C7H14N2O4S/c1-7(2,14(4,11)12)5-9-13-6(10)8-3/h5H,1-4H3,(H,8,10)/b9-5+
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芹菜素
- ≥98%
CAS号: 520-36-5 EC号: 208-292-3

分子式: C₁₅H₁₀O₅ 分子量: 270.24

IUPAC Name: 5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one

SMILES: C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O

InChIKey: KZNIFHPLKGYRTM-UHFFFAOYSA-N

InChI: 1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H
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丙烯菊酯
CAS号: 584-79-2 EC号: 209-542-4

分子式: C₁₉H₂₆O₃ 分子量: 302.41

IUPAC Name: (2-methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl) 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate

SMILES: CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C)CC=C

InChIKey: ZCVAOQKBXKSDMS-UHFFFAOYSA-N

InChI: 1S/C19H26O3/c1-7-8-13-12(4)16(10-15(13)20)22-18(21)17-14(9-11(2)3)19(17,5)6/h7,9,14,16-17H,1,8,10H2,2-6H3
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氢溴酸丙胺
CAS号: 300-08-3 EC号: 206-087-3

分子式: C₈H₁₃NO₂ · HBr 分子量: 236.11

IUPAC Name: methyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate;hydrobromide

SMILES: CN1CCC=C(C1)C(=O)OC.Br

InChIKey: AXOJRQLKMVSHHZ-UHFFFAOYSA-N

InChI: 1S/C8H13NO2.BrH/c1-9-5-3-4-7(6-9)8(10)11-2;/h4H,3,5-6H2,1-2H3;1H
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蒿甲醚
- ≥98%
CAS号: 71963-77-4

分子式: C₁₆H₂₆O₅ 分子量: 298.38

IUPAC Name: (1R,4S,5R,8S,9R,10S,12R,13R)-10-methoxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane

SMILES: CC1CCC2C(C(OC3C24C1CCC(O3)(OO4)C)OC)C

InChIKey: SXYIRMFQILZOAM-HVNFFKDJSA-N

InChI: 1S/C16H26O5/c1-9-5-6-12-10(2)13(17-4)18-14-16(12)11(9)7-8-15(3,19-14)20-21-16/h9-14H,5-8H2,1-4H3/t9-,10-,11+,12+,13+,14-,15-,16-/m1/s1
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牛蒡子苷
- ≥98%
CAS号: 20362-31-6 Compound CID : 100528

分子式: C₂₇H₃₄O₁₁ 分子量: 534.55

IUPAC Name: (3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]oxolan-2-one

SMILES: COC1=C(C=C(C=C1)CC2COC(=O)C2CC3=CC(=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O)OC)OC

InChIKey: XOJVHLIYNSOZOO-SWOBOCGESA-N

InChI: 1S/C27H34O11/c1-33-18-6-4-14(10-20(18)34-2)8-16-13-36-26(32)17(16)9-15-5-7-19(21(11-15)35-3)37-27-25(31)24(30)23(29)22(12-28)38-27/h4-7,10-11,16-17,22-25,27-31H,8-9,12-13H2,1-3H3/t16-,17+,22+,23+,24-,See more
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顺式-乌头酸
- ≥98%
CAS号: 585-84-2

分子式: C₆H₆O₆ 分子量: 174.11

IUPAC Name: (Z)-prop-1-ene-1,2,3-tricarboxylic acid

SMILES: C(C(=CC(=O)O)C(=O)O)C(=O)O

InChIKey: GTZCVFVGUGFEME-IWQZZHSRSA-N

InChI: 1S/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12)/b3-1-
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敌菌灵乙腈溶液标准物质
- 1.00mg/ml in acetonitrile
CAS号: 101-05-3 EC号: 202-910-5

分子式: C₉H₅Cl₃N₄ 分子量: 275.52

IUPAC Name: 4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine

SMILES: C1=CC=C(C(=C1)NC2=NC(=NC(=N2)Cl)Cl)Cl

InChIKey: IMHBYKMAHXWHRP-UHFFFAOYSA-N

InChI: 1S/C9H5Cl3N4/c10-5-3-1-2-4-6(5)13-9-15-7(11)14-8(12)16-9/h1-4H,(H,13,14,15,16)
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蒽醌
CAS号: 84-65-1 EC号: 201-549-0

分子式: C₁₄H₈O₂ 分子量: 208.21

IUPAC Name: anthracene-9,10-dione

SMILES: C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3C2=O

InChIKey: RZVHIXYEVGDQDX-UHFFFAOYSA-N

InChI: 1S/C14H8O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8H
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土木香内酯
- ≥97%(HPLC)
CAS号: 546-43-0

分子式: C₁₅H₂₀O₂ 分子量: 232.32

IUPAC Name: (3aR,5S,8aR,9aR)-5,8a-dimethyl-3-methylidene-5,6,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-one

SMILES: CC1CCCC2(C1=CC3C(C2)OC(=O)C3=C)C

InChIKey: PXOYOCNNSUAQNS-AGNJHWRGSA-N

InChI: 1S/C15H20O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h7,9,11,13H,2,4-6,8H2,1,3H3/t9-,11+,13+,15+/m0/s1
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印楝素
CAS号: 11141-17-6

分子式: C₃₅H₄₄O₁₆ 分子量: 720.71

IUPAC Name: dimethyl (1S,4S,5R,6S,7S,8R,11S,12R,14S,15R)-12-acetyloxy-4,7-dihydroxy-6-[(1S,2S,6S,8S,9R,11S)-2-hydroxy-11-methyl-5,7,10-trioxatetracyclo[6.3.1.02,6.09,11]dodec-3-en-9-yl]-6-methyl-14-[(E)-2-methylbSee more

SMILES: CC=C(C)C(=O)OC1CC(C2(COC3C2C14COC(C4C(C3O)(C)C56C7CC(C5(O6)C)C8(C=COC8O7)O)(C(=O)OC)O)C(=O)OC)OC(=O)C

InChIKey: FTNJWQUOZFUQQJ-NDAWSKJSSA-N

InChI: 1S/C35H44O16/c1-8-15(2)24(38)49-18-12-19(48-16(3)36)32(26(39)43-6)13-46-21-22(32)31(18)14-47-34(42,27(40)44-7)25(31)29(4,23(21)37)35-20-11-17(30(35,5)51-35)33(41)9-10-45-28(33)50-20/h8-10,17-23,25,28,See more
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