Vitas-M small molecule compound

N-(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)serine

Catalog ID
STL553306
SMILES OCC(C(=O)O)NC(=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 C22H33NO10 MW 471.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H33NO10/c1-11-4-5-14-12(2)19(29-17(26)7-6-16(25)23-15(10-24)18(27)28)30-20-22(14)13(11)8-9-21(3,31-20)32-33-22/h11-15,19-20,24H,4-10H2,1-3H3,(H,23,25)(H,27,28)/t11-,12-,13+,14+,15?,19-,20-,21?,22?/m1/s1
InChIKey
FUBBKKUQLPZKIW-IBVCEMKTSA-N
Synonyms

16402973
3hydroxy2((4oxo4(((4~(S)5~(R)8~(S)9~(R)10~(S)12~(R))159trimethyl11141516tetraoxatetracyclo(10310^(413)0^(813))hexadecan10yl)oxy)butanoyl)amino)propanoicacid
3hydroxy2(4oxo4(((3R5aS6R8aS9R10S12R12aR)369trimethyldecahydro3H312epoxy(12)dioxepino(43i)isochromen10yl)oxy)butanamido)propanoicacid
InChI=1SC22H33NO10c111451412(2)19(2917(26)7616(25)2315(1024)18(27)28)302022(14)13(11)8921(33120)323322h1115192024H410H213H3(H2325)(H2728)t111213+14+15?192021?22?m1s1
N(4oxo4(((5aS6R8aS9R10S12R12aR)369trimethyldecahydro312epoxy(12)dioxepino(43i)isochromen10yl)oxy)butanoyl)serine
OCC(C(=O)O)NC(=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
ZINC000100770205
ZINC000106362063

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.