Vitas-M small molecule compound
(1aR,1bR,4R,4aS,7R,7aS,9aR)-4-((4-(5-chloro-2-methylphenyl)piperazin-1-yl)methyl)-7,9a-dimethyloctahydro-1aH-oxireno[2',3':7,8]naphtho[8a,1-b]furan-3(4H)-one
Catalog ID
STL541879
SMILES O=C1O[C@@]23[C@H](C1CN1CCN(CC1)c1cc(Cl)ccc1C)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 C26H35ClN2O3 MW 459.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H35ClN2O3/c1-16-5-7-21-19(23(30)31-26(21)20(16)8-9-25(3)24(26)32-25)15-28-10-12-29(13-11-28)22-14-18(27)6-4-17(22)2/h4,6,14,16,19-21,24H,5,7-13,15H2,1-3H3/t16-,19?,20+,21+,24-,25-,26-/m1/s1InChIKey
GIBRBGJBXZRMRN-HQBJDLNBSA-NSynonyms
957000-37-2(1~(R)5~(S)8~(R)9~(S)12~(R)14~(R))4((4(5chloro2methylphenyl)piperazin1yl)methyl)812dimethyl213dioxatetracyclo(7500^(15)0^(1214))tetradecan3one
(1aR1bR4R4aS7R7aS9aR)4((4(5chloro2methylphenyl)piperazin1yl)methyl)79adimethyloctahydro1aHoxireno(2378)naphtho(8a1b)furan3(4H)one
16400161
957000372
InChI=1SC26H35ClN2O3c116572119(23(30)3126(21)20(16)8925(3)24(26)3225)1528101229(131128)221418(27)6417(22)2h461416192124H571315H213H3t1619?20+21+242526m1s1
MFCD32650014
O=C1O(C@@)23(C@H)(C1CN1CCN(CC1)c1cc(Cl)ccc1C)CC(C@H)((C@@H)2CC(C@@)1((C@H)3O1)C)C
ZINC000059415243
ZINC000061997581
Check stock
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