Vitas-M small molecule compound
tert-butyl {(4R,6R)-6-[2-(5-carbamoyl-2-methyl-4-oxo-5,6-dihydro-2H-2,6-methano-1,3-benzoxazocin-3(4H)-yl)ethyl]-2,2-dimethyl-1,3-dioxan-4-yl}acetate
Catalog ID
STL551574
SMILES O=C(OC(C)(C)C)C[C@H]1C[C@@H](CCN2C(=O)C(C(=O)N)C3CC2(C)Oc2c3cccc2)OC(O1)(C)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 C27H38N2O7 MW 502.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H38N2O7/c1-25(2,3)36-21(30)14-17-13-16(33-26(4,5)34-17)11-12-29-24(32)22(23(28)31)19-15-27(29,6)35-20-10-8-7-9-18(19)20/h7-10,16-17,19,22H,11-15H2,1-6H3,(H2,28,31)/t16-,17-,19?,22?,27?/m1/s1InChIKey
FWOFPDVSMXKYOC-OHGXHEHGSA-NSynonyms
~(tert)butyl2((4~(R)6~(R))6(2(12carbamoyl9methyl11oxo8oxa10azatricyclo(7310^(27))trideca246trien10yl)ethyl)22dimethyl13dioxan4yl)acetate
129895361
InChI=1SC27H38N2O7c125(23)3621(30)14171316(3326(45)3417)11122924(32)22(23(28)31)191527(296)35201087918(19)20h71016171922H1115H216H3(H22831)t161719?22?27?m1s1
O=C(OC(C)(C)C)C(C@H)1C(C@@H)(CCN2C(=O)C(C(=O)N)C3CC2(C)Oc2c3cccc2)OC(O1)(C)C
tertbutyl((4R6R)6(2(5carbamoyl2methyl4oxo56dihydro2H26methano13benzoxazocin3(4H)yl)ethyl)22dimethyl13dioxan4yl)acetate
tertbutyl2((4R6R)6(2(5carbamoyl2methyl4oxo56dihydro2H26methanobenzo(g)(13)oxazocin3(4H)yl)ethyl)22dimethyl13dioxan4yl)acetate
ZINC000524730336
ZINC000524730337
Check stock
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Check stock on Vitas-MAvailable files
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