Vitas-M small molecule compound
(1aR,2S,5aR,6aR,9S,9aR,9bS)-9-((4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)methyl)-2,5a-dimethyloctahydro-2H-oxireno[2',3':4,4a]naphtho[2,3-b]furan-8(9bH)-one
Catalog ID
STL527462
SMILES O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)Cc1ccc3c(c1)OCO3)[C@@H]1O[C@@]31[C@](C2)(C)CCC[C@@H]3C
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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 C27H36N2O5 MW 468.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H36N2O5/c1-17-4-3-7-26(2)13-22-23(24-27(17,26)34-24)19(25(30)33-22)15-29-10-8-28(9-11-29)14-18-5-6-20-21(12-18)32-16-31-20/h5-6,12,17,19,22-24H,3-4,7-11,13-16H2,1-2H3/t17-,19?,22+,23+,24-,26+,27-/m0/s1InChIKey
CBFIGQHHGJBHAY-ZWMIKLJDSA-NSynonyms
956953-36-9(1~(R)3~(S)4~(R)8~(R)10~(R)14~(S))5((4(13benzodioxol5ylmethyl)piperazin1yl)methyl)1014dimethyl27dioxatetracyclo(8400^(13)0^(48))tetradecan6one
(1aR2S5aR6aR9S9aR9bS)9((4(benzo(d)(13)dioxol5ylmethyl)piperazin1yl)methyl)25adimethyloctahydro2Hoxireno(2344a)naphtho(23b)furan8(9bH)one
16397054
956953369
InChI=1SC27H36N2O5c11743726(2)132223(2427(1726)3424)19(25(30)3322)152910828(91129)1418562021(1218)32163120h561217192224H347111316H212H3t1719?22+23+2426+27m0s1
MFCD32649860
O=C1O(C@H)2(C@@H)(C1CN1CCN(CC1)Cc1ccc3c(c1)OCO3)(C@@H)1O(C@@)31(C@)(C2)(C)CCC(C@@H)3C
ZINC000020112177
ZINC000020112180
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.