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)alanine
Catalog ID
STL553236
SMILES O=C(NC(C(=O)O)C)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
Contact us by email for worldwide delivery information, pricing, and real‑time availability. Send us your quotation request, and we will confirm stock levels, provide exact costs and lead times, suggest alternatives or find analogs when helpful, and share any additional specifications you may need.
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 C22H33NO9 MW 455.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H33NO9/c1-11-5-6-15-12(2)19(28-17(25)8-7-16(24)23-13(3)18(26)27)29-20-22(15)14(11)9-10-21(4,30-20)31-32-22/h11-15,19-20H,5-10H2,1-4H3,(H,23,24)(H,26,27)/t11-,12-,13?,14+,15+,19-,20-,21?,22?/m1/s1InChIKey
XOGLLGHDZUIKHM-JDQVTWISSA-NSynonyms
16403193
2((4oxo4(((4~(S)5~(R)8~(S)9~(R)10~(S)12~(R))159trimethyl11141516tetraoxatetracyclo(10310^(413)0^(813))hexadecan10yl)oxy)butanoyl)amino)propanoicacid
2(4oxo4(((3R5aS6R8aS9R10S12R12aR)369trimethyldecahydro3H312epoxy(12)dioxepino(43i)isochromen10yl)oxy)butanamido)propanoicacid
InChI=1SC22H33NO9c111561512(2)19(2817(25)8716(24)2313(3)18(26)27)292022(15)14(11)91021(43020)313222h11151920H510H214H3(H2324)(H2627)t111213?14+15+192021?22?m1s1
N(4oxo4(((5aS6R8aS9R10S12R12aR)369trimethyldecahydro312epoxy(12)dioxepino(43i)isochromen10yl)oxy)butanoyl)alanine
O=C(NC(C(=O)O)C)CCC(=O)O(C@@H)1O(C@@H)2OC3(C)CC(C@@H)4C2((C@H)((C@H)1C)CC(C@H)4C)OO3
ZINC000100770715
ZINC000106362085
Check stock
See real-time availability and sample size for STL553236 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.