Vitas-M small molecule compound
1-[(6R,6aR,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]-4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-one
Catalog ID
STL578052
SMILES O=C(N1CCCC2=C[C@@H]3C[C@H]([C@H]12)CN1CCCC[C@H]31)CCCc1onc(n1)c1ccco1
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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 C25H32N4O3 MW 436.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H32N4O3/c30-23(10-3-9-22-26-25(27-32-22)21-8-5-13-31-21)29-12-4-6-17-14-18-15-19(24(17)29)16-28-11-2-1-7-20(18)28/h5,8,13-14,18-20,24H,1-4,6-7,9-12,15-16H2/t18-,19+,20+,24+/m0/s1InChIKey
NKJPQLRPJHOJNG-UECWXEIQSA-NSynonyms
1((6R13R)23466a78910121313adodecahydro1H613methanodipyrido(12a32e)azocin1yl)4(3(furan2yl)124oxadiazol5yl)butan1one
1((6R6aR13aS)34678910121313adecahydro2H613methanodipyrido(12a32e)azocin1(6aH)yl)4(3(furan2yl)124oxadiazol5yl)butan1one
InChI=1SC25H32N4O3c3023(1039222625(273222)2185133121)2912461714181519(24(17)29)16281121720(18)28h581314182024H14679121516H2t1819+20+24+m0s1
MFCD33398292
O=C(N1CCCC2=C(C@H)3C(C@@H)((C@H)12)CN1CCCC(C@H)31)CCCc1onc(n1)c1ccco1
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