Vitas-M small molecule compound
methyl (2R)-2-{[(3,4-dihydroxy-6-{[(6aR,6bS,8aS,11S,14bS)-11-{[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]carbamoyl}-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-5-[(3,4,5-trihydroxy-6
Catalog ID
STL525545
SMILES COC(=O)[C@@H](C(C)C)NC(=O)C1OC(OC2CC[C@]3(C(C2(C)C)CC[C@@]2(C3C(=O)C=C3[C@@]2(C)CC[C@@]2(C3C[C@](C)(CC2)C(=O)N[C@H](C(=O)OC)C(C)C)C)C)C)C(C(C1O)O)OC1OC(C(=O)N[C@@H](C(=O)OC)C(C)C)C(C(C1O)O)O
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C60H95N3O19 MW 1162.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C60H95N3O19/c1-27(2)35(49(72)76-14)61-47(70)43-39(66)38(65)42(69)52(80-43)82-45-41(68)40(67)44(48(71)62-36(28(3)4)50(73)77-15)81-53(45)79-34-18-19-58(11)33(55(34,7)8)17-20-60(13)46(58)32(64)25-30-31-26-57(10,22-21-56(31,9)23-24-59(30,60)12)54(75)InChIKey
QQANTDQGINANND-VXTDAHFMSA-NSynonyms
44662343
4A14BICOSAHYDROPICEN3YL)OXY)5((345TRIHYDROXY6
COC(=O)(C@@H)(C(C)C)NC(=O)C1OC(O(C@H)2CC(C@)3(C(C2(C)C)CC(C@@)2((C@@H)3C(=O)C=C3(C@@)2(C)CC(C@@)2((C@@H)3C(C@)(C)(CC2)C(=O)N(C@H)(C(=O)OC)C(C)C)C)C)C)C(C(C1O)O)OC1OC(C(=O)N(C@@H)(C(=O)OC)C(C)C)C(C(C1O)O)O
InChI=1SC60H95N3O19c127(2)35(49(72)7614)6147(70)4339(66)38(65)42(69)52(8043)824541(68)40(67)44(48(71)6236(28(3)4)50(73)7715)8153(45)7934181958(11)33(55(347)8)172060(13)46(58)32(64)2530312657(10222156(319)232459(3060)12)54(75)6337(29(5)6)51(74)7816h25
methyl(2~(R))2((6(2(((6~(a)~(R)6~(b)~(S)8~(a)~(S)11~(S)14~(b)~(S))11(((2~(S))1methoxy3methyl1oxobutan2yl)carbamoyl)446~(a)6~(b)8~(a)1114~(b)heptamethyl14oxo234~(a)56789101212~(a)14~(a)dodecahydro1~(H)picen3yl)oxy)45dihydroxy6(((2~(R))1methoxy3methyl1
methyl(2R)2(((34dihydroxy6(((6aR6bS8aS11S14bS)11(((2S)1methoxy3methyl1oxobutan2yl)carbamoyl)446a6b8a1114bheptamethyl14oxo12344a566a6b788a910111212a1414a14bicosahydropicen3yl)oxy)5((345trihydroxy6
MFCD01083615
Check stock
See real-time availability and sample size for STL525545 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.