Vitas-M small molecule compound
4-hydroxy-1-(4-oxo-4-{[(5aS,6R,8aS,9R,10S,12R,12aR)-3,6,9-trimethyldecahydro-3,12-epoxy[1,2]dioxepino[4,3-i]isochromen-10-yl]oxy}butanoyl)proline
Catalog ID
STL553298
SMILES OC1CN(C(C1)C(=O)O)C(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@@H]4C2([C@H]([C@H]1C)CC[C@H]4C)OO3
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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 C24H35NO10 MW 497.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H35NO10/c1-12-4-5-16-13(2)21(32-22-24(16)15(12)8-9-23(3,33-22)34-35-24)31-19(28)7-6-18(27)25-11-14(26)10-17(25)20(29)30/h12-17,21-22,26H,4-11H2,1-3H3,(H,29,30)/t12-,13-,14?,15+,16+,17?,21-,22-,23?,24?/m1/s1InChIKey
ICVRXJQFTIXGAJ-HYYYJUPCSA-NSynonyms
16403300
4hydroxy1(4oxo4(((3R5aS6R8aS9R10S12R12aR)369trimethyldecahydro3H312epoxy(12)dioxepino(43i)isochromen10yl)oxy)butanoyl)pyrrolidine2carboxylicacid
4hydroxy1(4oxo4(((4~(S)5~(R)8~(S)9~(R)10~(S)12~(R))159trimethyl11141516tetraoxatetracyclo(10310^(413)0^(813))hexadecan10yl)oxy)butanoyl)pyrrolidine2carboxylicacid
4hydroxy1(4oxo4(((5aS6R8aS9R10S12R12aR)369trimethyldecahydro312epoxy(12)dioxepino(43i)isochromen10yl)oxy)butanoyl)proline
InChI=1SC24H35NO10c112451613(2)21(322224(16)15(12)8923(33322)343524)3119(28)7618(27)251114(26)1017(25)20(29)30h1217212226H411H213H3(H2930)t121314?15+16+17?212223?24?m1s1
OC1CN(C(C1)C(=O)O)C(=O)CCC(=O)O(C@@H)1O(C@@H)2OC3(C)CC(C@@H)4C2((C@H)((C@H)1C)CC(C@H)4C)OO3
ZINC000100770979
ZINC000229932401
Check stock
See real-time availability and sample size for STL553298 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.