Vitas-M small molecule compound
(3S,3aR,5S,8aR,9aR)-3-((4-(bis(4-fluorophenyl)methyl)piperazin-1-yl)methyl)-5,8a-dimethyl-3,3a,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(5H)-one
Catalog ID
STL538013
SMILES O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)C(c1ccc(cc1)F)c1ccc(cc1)F)C=C1[C@](C2)(C)CCC[C@@H]1C
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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/h5-12,18,21,26-27,29-30H,3-4,13-17,19-20H2,1-2H3/t21-,26+,27?,29+,32+/m0/s1InChIKey
LQRYJSOKRCGDGI-HNTWCGHTSA-NSynonyms
957005-14-0(3~(a)~(R)5~(S)8~(a)~(R)9~(a)~(R))3((4(bis(4fluorophenyl)methyl)piperazin1yl)methyl)58~(a)dimethyl33~(a)567899~(a)octahydrobenzo(f)(1)benzofuran2one
(3S3aR5S8aR9aR)3((4(bis(4fluorophenyl)methyl)piperazin1yl)methyl)58adimethyl33a6788a99aoctahydronaphtho(23b)furan2(5H)one
16400224
957005140
InChI=1SC32H38F2N2O2c121431332(2)192926(1828(21)32)27(31(37)3829)2035141636(171535)30(225924(33)10622)2371125(34)12823h512182126272930H3413171920H212H3t2126+27?29+32+m0s1
MFCD32650001
O=C1O(C@H)2(C@@H)(C1CN1CCN(CC1)C(c1ccc(cc1)F)c1ccc(cc1)F)C=C1(C@)(C2)(C)CCC(C@@H)1C
ZINC000070687179
ZINC000070687182
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.