Vitas-M small molecule compound
(1aR,1bR,4R,4aS,7R,7aS,9aR)-7,9a-dimethyl-4-((4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)methyl)octahydro-1aH-oxireno[2',3':7,8]naphtho[8a,1-b]furan-3(4H)-one oxalate
Catalog ID
STL529102
SMILES O=C1O[C@@]23[C@H](C1CN1CCN(CC1)c1cccc(c1)C(F)(F)F)CC[C@H]([C@@H]2CC[C@@]1([C@H]3O1)C)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 C26H33F3N2O3 MW 478.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H33F3N2O3/c1-16-6-7-21-19(22(32)33-25(21)20(16)8-9-24(2)23(25)34-24)15-30-10-12-31(13-11-30)18-5-3-4-17(14-18)26(27,28)29/h3-5,14,16,19-21,23H,6-13,15H2,1-2H3/t16-,19?,20+,21+,23-,24-,25-/m1/s1InChIKey
LSDFDNALGJDQTF-PMMMVFQASA-NSynonyms
(1~(R)5~(S)8~(R)9~(S)12~(R)14~(R))812dimethyl4((4(3(trifluoromethyl)phenyl)piperazin1yl)methyl)213dioxatetracyclo(7500^(15)0^(1214))tetradecan3one
(1aR1bR4R4aS7R7aS9aR)79adimethyl4((4(3(trifluoromethyl)phenyl)piperazin1yl)methyl)octahydro1aHoxireno(2378)naphtho(8a1b)furan3(4H)oneoxalate
16400912
InChI=1SC26H33F3N2O3c116672119(22(32)3325(21)20(16)8924(2)23(25)3424)1530101231(131130)1853417(1418)26(2728)29h351416192123H61315H212H3t1619?20+21+232425m1s1
MFCD32649899
OC(=O)C(=O)OO=C1O(C@@)23(C@H)(C1CN1CCN(CC1)c1cccc(c1)C(F)(F)F)CC(C@H)((C@@H)2CC(C@@)1((C@H)3O1)C)C
ZINC000061997614
ZINC000061997615
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.