小分子和化合物库
选项
-
BM 567CAS号 : 284464-77-3分子式: C18H28N4O5S 分子量: 412.5IUPAC Name: 1-[2-(cyclohexylamino)-5-nitrophenyl]sulfonyl-3-pentylureaSMILES: CCCCCNC(=O)NS(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NC2CCCCC2InChIKey: WNIPBGJWMANRGA-UHFFFAOYSA-NInChI: InChI=1S/C18H28N4O5S/c1-2-3-7-12-19-18(23)21-28(26,27)17-13-15(22(24)25)10-11-16(17)20-14-8-5-4-6-9-14/h10-11,13-14,20H,2-9,12H2,1H3,(H2,19,21,23)
-
16,16-二甲基前列腺素F2αCAS号 : 39746-23-1 Compound CID : 6441607分子式: C22H38O5 分子量: 382.5IUPAC Name: (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4,4-dimethyloct-1-enyl]cyclopentyl]hept-5-enoic acidSMILES: CCCCC(C)(C)C(C=CC1C(CC(C1CC=CCCCC(=O)O)O)O)OInChIKey: YMRWVEHSLXJOCD-SCOYTADVSA-NInChI: InChI=1S/C22H38O5/c1-4-5-14-22(2,3)20(25)13-12-17-16(18(23)15-19(17)24)10-8-6-7-9-11-21(26)27/h6,8,12-13,16-20,23-25H,4-5,7,9-11,14-15H2,1-3H3,(H,26,27)/b8-6-,13-12+/t16-,17-,18+,19-,20-/m1/s1
-
-
Prostaglandin E2 (PGE2)CAS号 : 363-24-6(DMSO)分子式: C20H32O5 分子量: 352.47SMILES: CCCCCC(O)/C=C/C1C(O)CC(=O)C1C\C=C/CCCC(O)=O
-
RamatrobanCAS号 : 116649-85-5 Compound CID : 123879分子式: C21H21FN2O4S 分子量: 416.47IUPAC Name: 3-[(3R)-3-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acidSMILES: C1CC2=C(CC1NS(=O)(=O)C3=CC=C(C=C3)F)C4=CC=CC=C4N2CCC(=O)OInChIKey: LDXDSHIEDAPSSA-OAHLLOKOSA-NInChI: InChI=1S/C21H21FN2O4S/c22-14-5-8-16(9-6-14)29(27,28)23-15-7-10-20-18(13-15)17-3-1-2-4-19(17)24(20)12-11-21(25)26/h1-6,8-9,15,23H,7,10-13H2,(H,25,26)/t15-/m1/s1
-
塞曲司特CAS号 : 112665-43-7 Compound CID : 2449分子式: C22H26O4 分子量: 354.45IUPAC Name: 7-phenyl-7-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)heptanoic acidSMILES: CC1=C(C(=O)C(=C(C1=O)C)C(CCCCCC(=O)O)C2=CC=CC=C2)CInChIKey: ZBVKEHDGYSLCCC-UHFFFAOYSA-NInChI: InChI=1S/C22H26O4/c1-14-15(2)22(26)20(16(3)21(14)25)18(17-10-6-4-7-11-17)12-8-5-9-13-19(23)24/h4,6-7,10-11,18H,5,8-9,12-13H2,1-3H3,(H,23,24)
-
RamatrobanCAS号 : 116649-85-5(DMSO) Compound CID : 123879分子式: C21H21FN2O4S 分子量: 416.47IUPAC Name: 3-[(3R)-3-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acidSMILES: C1CC2=C(CC1NS(=O)(=O)C3=CC=C(C=C3)F)C4=CC=CC=C4N2CCC(=O)OInChIKey: LDXDSHIEDAPSSA-OAHLLOKOSA-NInChI: InChI=1S/C21H21FN2O4S/c22-14-5-8-16(9-6-14)29(27,28)23-15-7-10-20-18(13-15)17-3-1-2-4-19(17)24(20)12-11-21(25)26/h1-6,8-9,15,23H,7,10-13H2,(H,25,26)/t15-/m1/s1
-
Benzenesulfonamide, N-(((1,1-dimethylethyl)amino)carbonyl)-2-((4-methylphenyl)amino)-5-nitro-CAS号 : 284464-83-1 Compound CID : 5312142分子式: C18H22N4O5S 分子量: 406.5IUPAC Name: 1-tert-butyl-3-[2-(4-methylanilino)-5-nitrophenyl]sulfonylureaSMILES: CC1=CC=C(C=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)NC(=O)NC(C)(C)CInChIKey: SILRUCMXYIKULW-UHFFFAOYSA-NInChI: InChI=1S/C18H22N4O5S/c1-12-5-7-13(8-6-12)19-15-10-9-14(22(24)25)11-16(15)28(26,27)21-17(23)20-18(2,3)4/h5-11,19H,1-4H3,(H2,20,21,23)
-
地诺前列素分子式: C20H34O5 分子量: 354.49IUPAC Name: (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acidSMILES: CCCCCC(C=CC1C(CC(C1CC=CCCCC(=O)O)O)O)OInChIKey: PXGPLTODNUVGFL-YNNPMVKQSA-NInChI: InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1
-
钙离子载体 A23187CAS号 : 52665-69-7 Compound CID : 11957499分子式: C29H37N3O6 分子量: 523.62IUPAC Name: 5-(methylamino)-2-[[(2S,3R,5R,6S,8R,9R)-3,5,9-trimethyl-2-[(2S)-1-oxo-1-(1H-pyrrol-2-yl)propan-2-yl]-1,7-dioxaspiro[5.5]undecan-8-yl]methyl]-1,3-benzoxazole-4-carboxylic acidSMILES: CC1CCC2(C(CC(C(O2)C(C)C(=O)C3=CC=CN3)C)C)OC1CC4=NC5=C(O4)C=CC(=C5C(=O)O)NCInChIKey: HIYAVKIYRIFSCZ-CYEMHPAKSA-NInChI: InChI=1S/C29H37N3O6/c1-15-10-11-29(17(3)13-16(2)27(38-29)18(4)26(33)20-7-6-12-31-20)37-22(15)14-23-32-25-21(36-23)9-8-19(30-5)24(25)28(34)35/h6-9,12,15-18,22,27,30-31H,10-11,13-14H2,1-5H3,(H,34,35)/t15-,16-,17-,18-,22-,27+,29+/m1/s1
-
地诺前列酮CAS号 : 363-24-6分子式: C20H32O5 分子量: 352.47IUPAC Name: (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]hept-5-enoic acidSMILES: CCCCCC(C=CC1C(CC(=O)C1CC=CCCCC(=O)O)O)OInChIKey: XEYBRNLFEZDVAW-ARSRFYASSA-NInChI: InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,19+/m0/s1
-
拉罗皮兰CAS号 : 571170-77-9 Compound CID : 9867642分子式: C21H19ClFNO4S 分子量: 435.9IUPAC Name: 2-[(3R)-4-[(4-chlorophenyl)methyl]-7-fluoro-5-methylsulfonyl-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acidSMILES: CS(=O)(=O)C1=CC(=CC2=C1N(C3=C2CCC3CC(=O)O)CC4=CC=C(C=C4)Cl)FInChIKey: NXFFJDQHYLNEJK-CYBMUJFWSA-NInChI: InChI=1S/C21H19ClFNO4S/c1-29(27,28)18-10-15(23)9-17-16-7-4-13(8-19(25)26)20(16)24(21(17)18)11-12-2-5-14(22)6-3-12/h2-3,5-6,9-10,13H,4,7-8,11H2,1H3,(H,25,26)/t13-/m1/s1
首页
400-620-6333











