Vitas-M small molecule compound
(3S,3aR,4aR,8aR,9aR)-3-((4-(bis(4-fluorophenyl)methyl)piperazin-1-yl)methyl)-8a-methyldecahydro-2H-spiro[naphtho[2,3-b]furan-5,2'-oxiran]-2-one
Catalog ID
STL537652
SMILES Fc1ccc(cc1)C(c1ccc(cc1)F)N1CCN(CC1)CC1C(=O)O[C@H]2[C@@H]1C[C@@H]1[C@](C2)(C)CCCC21OC2
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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 C32H38F2N2O3 MW 536.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H38F2N2O3/c1-31-11-2-12-32(20-38-32)28(31)17-25-26(30(37)39-27(25)18-31)19-35-13-15-36(16-14-35)29(21-3-7-23(33)8-4-21)22-5-9-24(34)10-6-22/h3-10,25-29H,2,11-20H2,1H3/t25-,26?,27-,28-,31-,32?/m1/s1InChIKey
XYVTWDNTBKSHPD-VVSODWCMSA-NSynonyms
956923-77-6(3~(a)~(R)4~(a)~(R)8~(a)~(R)9~(a)~(R))3((4(bis(4fluorophenyl)methyl)piperazin1yl)methyl)8~(a)methylspiro(3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran52oxirane)2one
(3S3aR4aR8aR9aR)3((4(bis(4fluorophenyl)methyl)piperazin1yl)methyl)8amethyldecahydro2Hspiro(naphtho(23b)furan52oxiran)2one
16400876
956923776
Fc1ccc(cc1)C(c1ccc(cc1)F)N1CCN(CC1)CC1C(=O)O(C@H)2(C@@H)1C(C@@H)1(C@)(C2)(C)CCCC21OC2
InChI=1SC32H38F2N2O3c1311121232(203832)28(31)172526(30(37)3927(25)1831)1935131536(161435)29(213723(33)8421)225924(34)10622h3102529H21120H21H3t2526?27283132?m1s1
ZINC000070687821
ZINC000070687833
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.