Vitas-M small molecule compound
(1aR,1bR,4R,4aS,7R,7aS,9aR)-4-((4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)methyl)-7,9a-dimethyloctahydro-1aH-oxireno[2',3':7,8]naphtho[8a,1-b]furan-3(4H)-one oxalate
Catalog ID
STL528782
SMILES O=C1O[C@@]23[C@H](C1CN1CCN(CC1)Cc1ccc4c(c1)OCO4)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 C27H36N2O5 MW 468.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H36N2O5/c1-17-3-5-21-19(24(30)33-27(21)20(17)7-8-26(2)25(27)34-26)15-29-11-9-28(10-12-29)14-18-4-6-22-23(13-18)32-16-31-22/h4,6,13,17,19-21,25H,3,5,7-12,14-16H2,1-2H3/t17-,19?,20+,21+,25-,26-,27-/m1/s1InChIKey
WANWSAWPRCZBGT-TYOGMLMUSA-NSynonyms
(1~(R)5~(S)8~(R)9~(S)12~(R)14~(R))4((4(13benzodioxol5ylmethyl)piperazin1yl)methyl)812dimethyl213dioxatetracyclo(7500^(15)0^(1214))tetradecan3one
(1aR1bR4R4aS7R7aS9aR)4((4(benzo(d)(13)dioxol5ylmethyl)piperazin1yl)methyl)79adimethyloctahydro1aHoxireno(2378)naphtho(8a1b)furan3(4H)oneoxalate
16400651
InChI=1SC27H36N2O5c117352119(24(30)3327(21)20(17)7826(2)25(27)3426)152911928(101229)1418462223(1318)32163122h461317192125H357121416H212H3t1719?20+21+252627m1s1
MFCD32649894
OC(=O)C(=O)OO=C1O(C@@)23(C@H)(C1CN1CCN(CC1)Cc1ccc4c(c1)OCO4)CC(C@H)((C@@H)2CC(C@@)1((C@H)3O1)C)C
ZINC000020609735
ZINC000020609737
Check stock
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Check stock on Vitas-MAvailable files
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