Vitas-M small molecule compound
(3S,3aR,8aR,9aR)-3-((4-cyclohexylpiperazin-1-yl)methyl)-5,8a-dimethyl-3,3a,8,8a,9,9a-hexahydronaphtho[2,3-b]furan-2(7H)-one
Catalog ID
STL553267
SMILES O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)C1CCCCC1)C=C1[C@](C2)(C)CCC=C1C
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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 C25H38N2O2 MW 398.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H38N2O2/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/h7,15,19-21,23H,3-6,8-14,16-17H2,1-2H3/t20-,21?,23-,25-/m1/s1InChIKey
DUGACSPHBUDFSB-ZTHJLXDFSA-NSynonyms
956948-58-6(3~(a)~(R)8~(a)~(R)9~(a)~(R))3((4cyclohexylpiperazin1yl)methyl)58~(a)dimethyl33~(a)7899~(a)hexahydrobenzo(f)(1)benzofuran2one
(3S3aR8aR9aR)3((4cyclohexylpiperazin1yl)methyl)58adimethyl33a88a99ahexahydronaphtho(23b)furan2(7H)one
16404859
956948586
InChI=1SC25H38N2O2c118761025(2)162320(1522(18)25)21(24(28)2923)1726111327(141226)198435919h715192123H368141617H212H3t2021?2325m1s1
ZINC000020755874
ZINC000020755879
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