Vitas-M small molecule compound
(3S,3aR,4aS,8aR,9aR)-3-((4-(2,5-dimethylphenyl)piperazin-1-yl)methyl)-8a-methyl-5-methylenedecahydronaphtho[2,3-b]furan-2(3H)-one
Catalog ID
STL542022
SMILES O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)c1cc(C)ccc1C)C[C@@H]1[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/c1-18-7-8-20(3)24(14-18)29-12-10-28(11-13-29)17-22-21-15-23-19(2)6-5-9-27(23,4)16-25(21)31-26(22)30/h7-8,14,21-23,25H,2,5-6,9-13,15-17H2,1,3-4H3/t21-,22?,23+,25-,27-/m1/s1InChIKey
WNUPSBUTHCFOAD-GFYKKFSUSA-NSynonyms
956933-40-7(3~(a)~(R)4~(a)~(S)8~(a)~(R)9~(a)~(R))3((4(25dimethylphenyl)piperazin1yl)methyl)8~(a)methyl5methylidene3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran2one
(3S3aR4aS8aR9aR)3((4(25dimethylphenyl)piperazin1yl)methyl)8amethyl5methylenedecahydronaphtho(23b)furan2(3H)one
16400935
956933407
InChI=1SC27H38N2O2c1187820(3)24(1418)29121028(111329)172221152319(2)65927(234)1625(21)3126(22)30h7814212325H2569131517H2134H3t2122?23+2527m1s1
MFCD32650018
O=C1O(C@H)2(C@@H)(C1CN1CCN(CC1)c1cc(C)ccc1C)C(C@@H)1(C@)(C2)(C)CCCC1=C
ZINC000059415275
ZINC000061997616
Check stock
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