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-[(cyclohexylmethyl)amino]-4-oxobutanoate
Catalog ID
STL553294
SMILES 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)NCC1CCCCC1
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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 C26H41NO7 MW 479.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H41NO7/c1-16-9-10-20-17(2)23(31-24-26(20)19(16)13-14-25(3,32-24)33-34-26)30-22(29)12-11-21(28)27-15-18-7-5-4-6-8-18/h16-20,23-24H,4-15H2,1-3H3,(H,27,28)/t16-,17-,19+,20+,23-,24-,25?,26?/m1/s1InChIKey
YTHIOLCNKYTWGD-UYEXUKHESA-NSynonyms
((4~(S)5~(R)8~(S)9~(R)10~(S)12~(R))159trimethyl11141516tetraoxatetracyclo(10310^(413)0^(813))hexadecan10yl)4(cyclohexylmethylamino)4oxobutanoate
(3R5aS6R8aS9R10S12R12aR)369trimethyldecahydro3H312epoxy(12)dioxepino(43i)isochromen10yl4((cyclohexylmethyl)amino)4oxobutanoate
(5aS6R8aS9R10S12R12aR)369trimethyldecahydro312epoxy(12)dioxepino(43i)isochromen10yl4((cyclohexylmethyl)amino)4oxobutanoate
16403693
InChI=1SC26H41NO7c1169102017(2)23(312426(20)19(16)131425(33224)333426)3022(29)121121(28)2715187546818h16202324H415H213H3(H2728)t161719+20+232425?26?m1s1
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)NCC1CCCCC1
ZINC000100771873
Check stock
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