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-(6,8-dimethyl[1,2,4]triazolo[4,3-b]pyridazin-7-yl)propan-1-one

Catalog ID
STL547965
SMILES O=C(N1CCCC2=C[C@@H]3C[C@H]([C@H]12)CN1CCCC[C@H]31)CCc1c(C)nn2c(c1C)nnc2

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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 C25H34N6O MW 434.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H34N6O/c1-16-21(17(2)28-31-15-26-27-25(16)31)8-9-23(32)30-11-5-6-18-12-19-13-20(24(18)30)14-29-10-4-3-7-22(19)29/h12,15,19-20,22,24H,3-11,13-14H2,1-2H3/t19-,20+,22+,24+/m0/s1
InChIKey
BFAURSZAVUNUMG-LNGMVNIQSA-N
Synonyms

1((6R6aR13S13aS)34678910121313adecahydro2H613methanodipyrido(12a32e)azocin1(6aH)yl)3(68dimethyl(124)triazolo(43b)pyridazin7yl)propan1one
3(68dimethyl(124)triazolo(43b)pyridazin7yl)1((6R6aR13R13aS)23466a78910121313adodecahydro1H613methanodipyrido(12a32e)azocin1yl)propan1one
InChI=1SC25H34N6Oc11621(17(2)283115262725(16)31)8923(32)3011561812191320(24(18)30)14291043722(19)29h121519202224H3111314H212H3t1920+22+24+m0s1
O=C(N1CCCC2=C(C@H)3C(C@H)((C@H)12)CN1CCCC(C@H)31)CCc1c(C)nn2c(c1C)nnc2
ZINC000253396689

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Available files

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