Vitas-M small molecule compound
(3S,3aR,8aR,9aR)-3-([1,4'-bipiperidin]-1'-ylmethyl)-8a-methyldecahydro-2H-spiro[naphtho[2,3-b]furan-5,2'-oxiran]-2-one
Catalog ID
STL532664
SMILES O=C1O[C@H]2[C@@H](C1CN1CCC(CC1)N1CCCCC1)CC1[C@](C2)(C)CCCC21OC2
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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 C25H40N2O3 MW 416.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H40N2O3/c1-24-8-5-9-25(17-29-25)22(24)14-19-20(23(28)30-21(19)15-24)16-26-12-6-18(7-13-26)27-10-3-2-4-11-27/h18-22H,2-17H2,1H3/t19-,20?,21-,22?,24-,25?/m1/s1InChIKey
PPRQNSMKNMTHHR-CJRXOLPQSA-NSynonyms
1212470-50-2(3~(a)~(R)8~(a)~(R)9~(a)~(R))8~(a)methyl3((4piperidin1ylpiperidin1yl)methyl)spiro(3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran52oxirane)2one
(3S3aR8aR9aR)3((14bipiperidin)1ylmethyl)8amethyldecahydro2Hspiro(naphtho(23b)furan52oxiran)2one
1212470502
16405033
InChI=1SC25H40N2O3c12485925(172925)22(24)141920(23(28)3021(19)1524)162612618(71326)27103241127h1822H217H21H3t1920?2122?2425?m1s1
O=C1O(C@H)2(C@@H)(C1CN1CCC(CC1)N1CCCCC1)CC1(C@)(C2)(C)CCCC21OC2
ZINC000004088016
ZINC000082051312
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