Vitas-M small molecule compound

(3S,3aR,8aR,9aR)-3-((4-(2,3-dimethylphenyl)piperazin-1-yl)methyl)-8a-methyl-5-methylenedecahydronaphtho[2,3-b]furan-2(3H)-one hydrochloride

Catalog ID
STL526648
SMILES O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)c1cccc(c1C)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/c1-18-7-5-9-24(20(18)3)29-13-11-28(12-14-29)17-22-21-15-23-19(2)8-6-10-27(23,4)16-25(21)31-26(22)30/h5,7,9,21-23,25H,2,6,8,10-17H2,1,3-4H3/t21-,22?,23?,25-,27-/m1/s1
InChIKey
WYKBPXVYLIHAHZ-PWGYGSINSA-N
Synonyms

(3~(a)~(R)8~(a)~(R)9~(a)~(R))3((4(23dimethylphenyl)piperazin1yl)methyl)8~(a)methyl5methylidene3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran2one
(3S3aR8aR9aR)3((4(23dimethylphenyl)piperazin1yl)methyl)8amethyl5methylenedecahydronaphtho(23b)furan2(3H)onehydrochloride
16397589
InChI=1SC27H38N2O2c11875924(20(18)3)29131128(121429)172221152319(2)861027(234)1625(21)3126(22)30h579212325H2681017H2134H3t2122?23?2527m1s1
O=C1O(C@H)2(C@@H)(C1CN1CCN(CC1)c1cccc(c1C)C)CC1(C@)(C2)(C)CCCC1=CCl
ZINC000061992900
ZINC000061992903

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Available files

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