Vitas-M small molecule compound
(3S,3aR,4aS,8aR,9aR)-3-((4-(bis(4-fluorophenyl)methyl)piperazin-1-yl)methyl)-8a-methyl-5-methylenedecahydronaphtho[2,3-b]furan-2(3H)-one
Catalog ID
STL537680
SMILES O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)C(c1ccc(cc1)F)c1ccc(cc1)F)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 C32H38F2N2O2 MW 520.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H38F2N2O2/c1-21-4-3-13-32(2)19-29-26(18-28(21)32)27(31(37)38-29)20-35-14-16-36(17-15-35)30(22-5-9-24(33)10-6-22)23-7-11-25(34)12-8-23/h5-12,26-30H,1,3-4,13-20H2,2H3/t26-,27?,28+,29-,32-/m1/s1InChIKey
ZGGVOXYWOVDRQW-IGJWQUPASA-NSynonyms
956955-43-4(3~(a)~(R)4~(a)~(S)8~(a)~(R)9~(a)~(R))3((4(bis(4fluorophenyl)methyl)piperazin1yl)methyl)8~(a)methyl5methylidene3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran2one
(3S3aR4aS8aR9aR)3((4(bis(4fluorophenyl)methyl)piperazin1yl)methyl)8amethyl5methylenedecahydronaphtho(23b)furan2(3H)one
16400996
956955434
InChI=1SC32H38F2N2O2c121431332(2)192926(1828(21)32)27(31(37)3829)2035141636(171535)30(225924(33)10622)2371125(34)12823h5122630H1341320H22H3t2627?28+2932m1s1
MFCD32649999
O=C1O(C@H)2(C@@H)(C1CN1CCN(CC1)C(c1ccc(cc1)F)c1ccc(cc1)F)C(C@@H)1(C@)(C2)(C)CCCC1=C
ZINC000070687957
ZINC000070687959
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.