Vitas-M small molecule compound
(3S,3aR,8aR,9aR)-8a-methyl-5-methylene-3-((4-(m-tolyl)piperazin-1-yl)methyl)decahydronaphtho[2,3-b]furan-2(3H)-one
Catalog ID
STL533716
SMILES O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)c1cccc(c1)C)CC1[C@](C2)(C)CCCC1=C
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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 C26H36N2O2 MW 408.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H36N2O2/c1-18-6-4-8-20(14-18)28-12-10-27(11-13-28)17-22-21-15-23-19(2)7-5-9-26(23,3)16-24(21)30-25(22)29/h4,6,8,14,21-24H,2,5,7,9-13,15-17H2,1,3H3/t21-,22?,23?,24-,26-/m1/s1InChIKey
XQXNTSRSLXYYTI-XURSCOLFSA-NSynonyms
957000-22-5(3~(a)~(R)8~(a)~(R)9~(a)~(R))8~(a)methyl5methylidene3((4(3methylphenyl)piperazin1yl)methyl)3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran2one
(3S3aR8aR9aR)8amethyl5methylene3((4(mtolyl)piperazin1yl)methyl)decahydronaphtho(23b)furan2(3H)one
16404504
957000225
InChI=1SC26H36N2O2c11864820(1418)28121027(111328)172221152319(2)75926(233)1624(21)3025(22)29h468142124H2579131517H213H3t2122?23?2426m1s1
O=C1O(C@H)2(C@@H)(C1CN1CCN(CC1)c1cccc(c1)C)CC1(C@)(C2)(C)CCCC1=C
ZINC000059415309
ZINC000061999365
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