Vitas-M small molecule compound
2-(1,3-benzodioxol-5-yloxy)-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]ethanone
Catalog ID
STL547986
SMILES O=C(N1CCCC2=C[C@@H]3C[C@H]([C@H]12)CN1CCCC[C@H]31)COc1ccc2c(c1)OCO2
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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 C24H30N2O4 MW 410.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H30N2O4/c27-23(14-28-19-6-7-21-22(12-19)30-15-29-21)26-9-3-4-16-10-17-11-18(24(16)26)13-25-8-2-1-5-20(17)25/h6-7,10,12,17-18,20,24H,1-5,8-9,11,13-15H2/t17-,18+,20+,24+/m0/s1InChIKey
VBSIUGOTPKTTKF-KKIGLAAZSA-NSynonyms
2(13benzodioxol5yloxy)1((6R6aR13aS)34678910121313adecahydro2H613methanodipyrido(12a32e)azocin1(6aH)yl)ethanone
2(benzo(d)(13)dioxol5yloxy)1((6R6aR13R13aS)23466a78910121313adodecahydro1H613methanodipyrido(12a32e)azocin1yl)ethanone
InChI=1SC24H30N2O4c2723(142819672122(1219)30152921)269341610171118(24(16)26)1325821520(17)25h67101217182024H1589111315H2t1718+20+24+m0s1
O=C(N1CCCC2=C(C@H)3C(C@@H)((C@H)12)CN1CCCC(C@@H)31)COc1ccc2c(c1)OCO2
ZINC000253413552
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