Vitas-M small molecule compound

1-[(6R,6aR,13S,13aS)-3,4,6,7,8,9,10,12,13,13a-decahydro-2H-6,13-methanodipyrido[1,2-a:3',2'-e]azocin-1(6aH)-yl]-3-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]propan-1-one

Catalog ID
STL546176
SMILES O=C(N1CCCC2=C[C@@H]3C[C@H]([C@H]12)CN1CCCC[C@H]31)CCc1onc(n1)c1ccncc1

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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 C25H31N5O2 MW 433.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31N5O2/c31-23(7-6-22-27-25(28-32-22)17-8-10-26-11-9-17)30-13-3-4-18-14-19-15-20(24(18)30)16-29-12-2-1-5-21(19)29/h8-11,14,19-21,24H,1-7,12-13,15-16H2/t19-,20+,21+,24+/m0/s1
InChIKey
WQOFROOHJBTXFK-FBHSLPMESA-N
Synonyms

1((6R6aR13R13aS)23466a78910121313adodecahydro1H613methanodipyrido(12a32e)azocin1yl)3(3(pyridin4yl)124oxadiazol5yl)propan1one
1((6R6aR13S13aS)34678910121313adecahydro2H613methanodipyrido(12a32e)azocin1(6aH)yl)3(3(pyridin4yl)124oxadiazol5yl)propan1one
InChI=1SC25H31N5O2c3123(76222725(283222)178102611917)3013341814191520(24(18)30)16291221521(19)29h81114192124H1712131516H2t1920+21+24+m0s1
O=C(N1CCCC2=C(C@H)3C(C@H)((C@H)12)CN1CCCC(C@H)31)CCc1onc(n1)c1ccncc1
ZINC000253414168

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Available files

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