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-(4-fluorophenyl)ethyl]amino}-4-oxobutanoate
Catalog ID
STL553239
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)NCCc1ccc(cc1)F
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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 C27H36FNO7 MW 505.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H36FNO7/c1-16-4-9-21-17(2)24(33-25-27(21)20(16)12-14-26(3,34-25)35-36-27)32-23(31)11-10-22(30)29-15-13-18-5-7-19(28)8-6-18/h5-8,16-17,20-21,24-25H,4,9-15H2,1-3H3,(H,29,30)/t16-,17-,20+,21+,24-,25-,26-,27?/m1/s1InChIKey
BTRFQYMSLHUFQL-PTOISYPNSA-NSynonyms
(3R5aS6R8aS9R10S12R12aR)369trimethyldecahydro3H312epoxy(12)dioxepino(43i)isochromen10yl4((4fluorophenethyl)amino)4oxobutanoate
(5aS6R8aS9R10S12R12aR)369trimethyldecahydro312epoxy(12)dioxepino(43i)isochromen10yl4((2(4fluorophenyl)ethyl)amino)4oxobutanoate
InChI=1SC27H36FNO7c116492117(2)24(332527(21)20(16)121426(33425)353627)3223(31)111022(30)291513185719(28)8618h58161720212425H4915H213H3(H2930)t161720+21+24252627?m1s1
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)NCCc1ccc(cc1)F
ZINC000100770161
Check stock
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