Vitas-M small molecule compound
(3S,3aR,8aR,9aR)-8a-methyl-5-methylene-3-((4-phenylpiperazin-1-yl)methyl)decahydronaphtho[2,3-b]furan-2(3H)-one
Catalog ID
STL527822
SMILES O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)c1ccccc1)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 C25H34N2O2 MW 394.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H34N2O2/c1-18-7-6-10-25(2)16-23-20(15-22(18)25)21(24(28)29-23)17-26-11-13-27(14-12-26)19-8-4-3-5-9-19/h3-5,8-9,20-23H,1,6-7,10-17H2,2H3/t20-,21?,22?,23-,25-/m1/s1InChIKey
RKKGCRDYLZFHLX-SSHIOZSPSA-NSynonyms
957042-52-3(3~(a)~(R)8~(a)~(R)9~(a)~(R))8~(a)methyl5methylidene3((4phenylpiperazin1yl)methyl)3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran2one
(3S3aR8aR9aR)8amethyl5methylene3((4phenylpiperazin1yl)methyl)decahydronaphtho(23b)furan2(3H)one
16398196
957042523
InChI=1SC25H34N2O2c118761025(2)162320(1522(18)25)21(24(28)2923)1726111327(141226)198435919h35892023H1671017H22H3t2021?22?2325m1s1
O=C1O(C@H)2(C@@H)(C1CN1CCN(CC1)c1ccccc1)CC1(C@)(C2)(C)CCCC1=C
ZINC000059410461
ZINC000061996993
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