Vitas-M small molecule compound
(3S,3aR,8aR,9aR)-3-((4-(3,4-dimethylphenyl)piperazin-1-yl)methyl)-8a-methyl-5-methylenedecahydronaphtho[2,3-b]furan-2(3H)-one
Catalog ID
STL532960
SMILES O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)c1ccc(c(c1)C)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 C27H38N2O2 MW 422.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H38N2O2/c1-18-7-8-21(14-20(18)3)29-12-10-28(11-13-29)17-23-22-15-24-19(2)6-5-9-27(24,4)16-25(22)31-26(23)30/h7-8,14,22-25H,2,5-6,9-13,15-17H2,1,3-4H3/t22-,23?,24?,25-,27-/m1/s1InChIKey
HHTQSKQASDMSRX-XIQCYBDRSA-NSynonyms
956827-63-7(3~(a)~(R)8~(a)~(R)9~(a)~(R))3((4(34dimethylphenyl)piperazin1yl)methyl)8~(a)methyl5methylidene3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran2one
(3S3aR8aR9aR)3((4(34dimethylphenyl)piperazin1yl)methyl)8amethyl5methylenedecahydronaphtho(23b)furan2(3H)one
16405180
956827637
InChI=1SC27H38N2O2c1187821(1420(18)3)29121028(111329)172322152419(2)65927(244)1625(22)3126(23)30h78142225H2569131517H2134H3t2223?24?2527m1s1
O=C1O(C@H)2(C@@H)(C1CN1CCN(CC1)c1ccc(c(c1)C)C)CC1(C@)(C2)(C)CCCC1=C
ZINC000059415321
ZINC000061999459
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