Vitas-M small molecule compound
(1aR,1bR,4R,4aS,7R,7aS,9aR)-4-((4-(3-chlorophenyl)piperazin-1-yl)methyl)-7,9a-dimethyloctahydro-1aH-oxireno[2',3':7,8]naphtho[8a,1-b]furan-3(4H)-one oxalate
Catalog ID
STL528724
SMILES O=C1O[C@@]23[C@H](C1CN1CCN(CC1)c1cccc(c1)Cl)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 C25H33ClN2O3 MW 445.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H33ClN2O3/c1-16-6-7-21-19(22(29)30-25(21)20(16)8-9-24(2)23(25)31-24)15-27-10-12-28(13-11-27)18-5-3-4-17(26)14-18/h3-5,14,16,19-21,23H,6-13,15H2,1-2H3/t16-,19?,20+,21+,23-,24-,25-/m1/s1InChIKey
ONGHYEJNIVIJGS-PMMMVFQASA-NSynonyms
(1~(R)5~(S)8~(R)9~(S)12~(R)14~(R))4((4(3chlorophenyl)piperazin1yl)methyl)812dimethyl213dioxatetracyclo(7500^(15)0^(1214))tetradecan3one
(1aR1bR4R4aS7R7aS9aR)4((4(3chlorophenyl)piperazin1yl)methyl)79adimethyloctahydro1aHoxireno(2378)naphtho(8a1b)furan3(4H)oneoxalate
16400339
InChI=1SC25H33ClN2O3c116672119(22(29)3025(21)20(16)8924(2)23(25)3124)1527101228(131127)1853417(26)1418h351416192123H61315H212H3t1619?20+21+232425m1s1
MFCD32649893
OC(=O)C(=O)OO=C1O(C@@)23(C@H)(C1CN1CCN(CC1)c1cccc(c1)Cl)CC(C@H)((C@@H)2CC(C@@)1((C@H)3O1)C)C
ZINC000061997587
ZINC000061997588
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