首页
400-620-6333
小分子和化合物库
选项
-
甘草次酸(β型）CAS号 : 471-53-4(DMSO)分子式: C30H46O4 分子量: 470.68SMILES: CC1(C)C(O)CCC2(C)C1CCC3(C)C2C(=O)C=C4C5CC(C)(CCC5(C)CCC34C)C(O)=O
-
BVT-14225CAS号 : 376638-65-2 Compound CID : 6918663分子式: C16H20ClN3O3S2 分子量: 401.9IUPAC Name: 2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-N,N-diethylacetamideSMILES: CCN(CC)C(=O)CC1=CSC(=N1)NS(=O)(=O)C2=C(C(=CC=C2)Cl)CInChIKey: PNFMZAHWOASGJC-UHFFFAOYSA-NInChI: InChI=1S/C16H20ClN3O3S2/c1-4-20(5-2)15(21)9-12-10-24-16(18-12)19-25(22,23)14-8-6-7-13(17)11(14)3/h6-8,10H,4-5,9H2,1-3H3,(H,18,19)
-
WAY-604429CAS号 : 453526-02-8 Compound CID : 3146235分子式: C25H20N4OS 分子量: 424.52IUPAC Name: 1-(2,3-dihydroindol-1-yl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]ethanoneSMILES: C1CN(C2=CC=CC=C21)C(=O)CSC3=NC(=C(N=N3)C4=CC=CC=C4)C5=CC=CC=C5InChIKey: VYWVGJDFMVEDFJ-UHFFFAOYSA-NInChI: InChI=1S/C25H20N4OS/c30-22(29-16-15-18-9-7-8-14-21(18)29)17-31-25-26-23(19-10-3-1-4-11-19)24(27-28-25)20-12-5-2-6-13-20/h1-14H,15-17H2
-
科罗索酸CAS号 : 4547-24-4(DMSO) Compound CID : 6918774分子式: C30H48O4 分子量: 472.70IUPAC Name: (1S,2R,4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-10,11-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acidSMILES: CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)O)C)C)C2C1C)C)C(=O)OInChIKey: HFGSQOYIOKBQOW-ZSDYHTTISA-NInChI: InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1
-
1,5-Bis(4-hydroxyphenyl)penta-1,4-dien-3-one分子式: C17H14O3 分子量: 266.29IUPAC Name: (1E,4E)-1,5-bis(4-hydroxyphenyl)penta-1,4-dien-3-oneSMILES: C1=CC(=CC=C1C=CC(=O)C=CC2=CC=C(C=C2)O)OInChIKey: FTEGUKWEUQPKIS-YDWXAUTNSA-NInChI: InChI=1S/C17H14O3/c18-15-7-1-13(2-8-15)5-11-17(20)12-6-14-3-9-16(19)10-4-14/h1-12,18-19H/b11-5+,12-6+
-
1-(4-Chlorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoneCAS号 : 307343-39-1 Compound CID : 686457分子式: C11H9ClN2OS2 分子量: 284.8IUPAC Name: 1-(4-chlorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoneSMILES: CC1=NN=C(S1)SCC(=O)C2=CC=C(C=C2)ClInChIKey: AWMRCOYYVOFYGS-UHFFFAOYSA-NInChI: InChI=1S/C11H9ClN2OS2/c1-7-13-14-11(17-7)16-6-10(15)8-2-4-9(12)5-3-8/h2-5H,6H2,1H3
-
2-(Adamantan-2-yl)acetic acidCAS号 : 26082-22-4 Compound CID : 870990分子式: C12H18O2 分子量: 194.27IUPAC Name: 2-(2-adamantyl)acetic acidSMILES: C1C2CC3CC1CC(C2)C3CC(=O)OInChIKey: KVBKBENCOHRLFW-UHFFFAOYSA-NInChI: InChI=1S/C12H18O2/c13-12(14)6-11-9-2-7-1-8(4-9)5-10(11)3-7/h7-11H,1-6H2,(H,13,14)
-
3-Oxoglycyrrhetinic acid分子式: C30H44O4 分子量: 468.7IUPAC Name: (2S,4aS,6aR,6aS,6bR,8aR,12aS,14bR)-2,4a,6a,6b,9,9,12a-heptamethyl-10,13-dioxo-1,3,4,5,6,6a,7,8,8a,11,12,14b-dodecahydropicene-2-carboxylic acidSMILES: CC1(C2CCC3(C(C2(CCC1=O)C)C(=O)C=C4C3(CCC5(C4CC(CC5)(C)C(=O)O)C)C)C)CInChIKey: QGWDYPREORDRIT-LPXJIFNVSA-NInChI: InChI=1S/C30H44O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21,23H,8-15,17H2,1-7H3,(H,33,34)/t19-,21-,23+,26+,27-,28-,29+,30+/m0/s1
-
Adamantan-1-yl-piperidin-1-yl-methanoneCAS号 : 22508-49-2 Compound CID : 584509分子式: C16H25NO 分子量: 247.38IUPAC Name: 1-adamantyl(piperidin-1-yl)methanoneSMILES: C1CCN(CC1)C(=O)C23CC4CC(C2)CC(C4)C3InChIKey: BURUIZXRHQWZQI-UHFFFAOYSA-NInChI: InChI=1S/C16H25NO/c18-15(17-4-2-1-3-5-17)16-9-12-6-13(10-16)8-14(7-12)11-16/h12-14H,1-11H2
-
Adamantan-1-yl-(4-methyl-piperazin-1-yl)-methanoneCAS号 : 313496-09-2 Compound CID : 2827468分子式: C16H26N2O 分子量: 262.39IUPAC Name: 1-adamantyl-(4-methylpiperazin-1-yl)methanoneSMILES: CN1CCN(CC1)C(=O)C23CC4CC(C2)CC(C4)C3InChIKey: NINBPJOROIHPNH-UHFFFAOYSA-NInChI: InChI=1S/C16H26N2O/c1-17-2-4-18(5-3-17)15(19)16-9-12-6-13(10-16)8-14(7-12)11-16/h12-14H,2-11H2,1H3
-
Adamantan-1-yl(pyrrolidin-1-yl)methanoneCAS号 : 22508-51-6 Compound CID : 2741656分子式: C15H23NO 分子量: 233.35IUPAC Name: 1-adamantyl(pyrrolidin-1-yl)methanoneSMILES: C1CCN(C1)C(=O)C23CC4CC(C2)CC(C4)C3InChIKey: RVXVNLMWQYKNHL-UHFFFAOYSA-NInChI: InChI=1S/C15H23NO/c17-14(16-3-1-2-4-16)15-8-11-5-12(9-15)7-13(6-11)10-15/h11-13H,1-10H2
-
Adamantane-1-carboxylic acid (pyridin-3-ylmethyl)-amideCAS号 : 153872-62-9 Compound CID : 585624分子式: C17H22N2O 分子量: 270.37IUPAC Name: N-(pyridin-3-ylmethyl)adamantane-1-carboxamideSMILES: C1C2CC3CC1CC(C2)(C3)C(=O)NCC4=CN=CC=C4InChIKey: SIOCWTZRIYXTEE-UHFFFAOYSA-NInChI: InChI=1S/C17H22N2O/c20-16(19-11-12-2-1-3-18-10-12)17-7-13-4-14(8-17)6-15(5-13)9-17/h1-3,10,13-15H,4-9,11H2,(H,19,20)
