Vitas-M small molecule compound
(1aR,1bR,4R,4aS,7R,7aS,9aR)-4-((4-cinnamylpiperazin-1-yl)methyl)-7,9a-dimethyloctahydro-1aH-oxireno[2',3':7,8]naphtho[8a,1-b]furan-3(4H)-one oxalate
Catalog ID
STL529155
SMILES O=C1O[C@@]23[C@H](C1CN1CCN(CC1)C/C=C/c1ccccc1)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 C28H38N2O3 MW 450.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H38N2O3/c1-20-10-11-24-22(25(31)32-28(24)23(20)12-13-27(2)26(28)33-27)19-30-17-15-29(16-18-30)14-6-9-21-7-4-3-5-8-21/h3-9,20,22-24,26H,10-19H2,1-2H3/b9-6+/t20-,22?,23+,24+,26-,27-,28-/m1/s1InChIKey
WVGDXNVLHFQIGG-CPUXUQCTSA-NSynonyms
(1~(R)5~(S)8~(R)9~(S)12~(R)14~(R))812dimethyl4((4((~(E))3phenylprop2enyl)piperazin1yl)methyl)213dioxatetracyclo(7500^(15)0^(1214))tetradecan3one
(1aR1bR4R4aS7R7aS9aR)4((4cinnamylpiperazin1yl)methyl)79adimethyloctahydro1aHoxireno(2378)naphtho(8a1b)furan3(4H)oneoxalate
16400147
InChI=1SC28H38N2O3c12010112422(25(31)3228(24)23(20)121327(2)26(28)3327)1930171529(161830)1469217435821h3920222426H1019H212H3b96+t2022?23+24+262728m1s1
MFCD32649901
OC(=O)C(=O)OO=C1O(C@@)23(C@H)(C1CN1CCN(CC1)CC=Cc1ccccc1)CC(C@H)((C@@H)2CC(C@@)1((C@H)3O1)C)C
ZINC000020412687
ZINC000020412693
Check stock
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