Vitas-M small molecule compound
(5aS,6R,8aS,9R,10S,12R,12aR)-3,6,9-trimethyldecahydro-3,12-epoxy[1,2]dioxepino[4,3-i]isochromen-10-yl 4-[(2-methylpropyl)amino]-4-oxobutanoate
Catalog ID
STL553308
SMILES CC(CNC(=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)C
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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 C23H37NO7 MW 439.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H37NO7/c1-13(2)12-24-18(25)8-9-19(26)27-20-15(4)17-7-6-14(3)16-10-11-22(5)29-21(28-20)23(16,17)31-30-22/h13-17,20-21H,6-12H2,1-5H3,(H,24,25)/t14-,15-,16+,17+,20-,21-,22?,23?/m1/s1InChIKey
PGLPIGNVKSMLLT-MQFMURRMSA-NSynonyms
((4~(S)5~(R)8~(S)9~(R)10~(S)12~(R))159trimethyl11141516tetraoxatetracyclo(10310^(413)0^(813))hexadecan10yl)4(2methylpropylamino)4oxobutanoate
(3R5aS6R8aS9R10S12R12aR)369trimethyldecahydro3H312epoxy(12)dioxepino(43i)isochromen10yl4(isobutylamino)4oxobutanoate
(5aS6R8aS9R10S12R12aR)369trimethyldecahydro312epoxy(12)dioxepino(43i)isochromen10yl4((2methylpropyl)amino)4oxobutanoate
16404968
CC(CNC(=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)C
InChI=1SC23H37NO7c113(2)122418(25)8919(26)272015(4)177614(3)16101122(5)2921(2820)23(1617)313022h13172021H612H215H3(H2425)t141516+17+202122?23?m1s1
ZINC000100776715
Check stock
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