Vitas-M small molecule compound
1-[(6S,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]-2-(4-hydroxyphthalazin-1-yl)ethanone
Catalog ID
STL546326
SMILES O=C(N1CCCC2=C[C@@H]3C[C@H]([C@H]12)CN1CCCC[C@H]31)Cc1nnc(c2c1cccc2)O
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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 C25H30N4O2 MW 418.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N4O2/c30-23(14-21-19-7-1-2-8-20(19)25(31)27-26-21)29-11-5-6-16-12-17-13-18(24(16)29)15-28-10-4-3-9-22(17)28/h1-2,7-8,12,17-18,22,24H,3-6,9-11,13-15H2,(H,27,31)/t17-,18+,22+,24+/m0/s1InChIKey
APOCTQBTQNWTOI-SRWPTAKMSA-NSynonyms
1((6S6aR13S13aS)34678910121313adecahydro2H613methanodipyrido(12a32e)azocin1(6aH)yl)2(4hydroxyphthalazin1yl)ethanone
InChI=1SC25H30N4O2c3023(142119712820(19)25(31)272621)2911561612171318(24(16)29)15281043922(17)28h12781217182224H369111315H2(H2731)t1718+22+24+m0s1
ZINC000409413424
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