Vitas-M small molecule compound
(1aR,1bR,4R,4aS,7R,7aS,9aR)-7,9a-dimethyl-4-((4-(pyridin-2-yl)piperazin-1-yl)methyl)octahydro-1aH-oxireno[2',3':7,8]naphtho[8a,1-b]furan-3(4H)-one
Catalog ID
STL548370
SMILES O=C1O[C@@]23[C@H](C1CN1CCN(CC1)c1ccccn1)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 C24H33N3O3 MW 411.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H33N3O3/c1-16-6-7-19-17(15-26-11-13-27(14-12-26)20-5-3-4-10-25-20)21(28)29-24(19)18(16)8-9-23(2)22(24)30-23/h3-5,10,16-19,22H,6-9,11-15H2,1-2H3/t16-,17?,18+,19+,22-,23-,24-/m1/s1InChIKey
SFYCZGWXQMTELK-CODRILLESA-NSynonyms
(1~(R)5~(S)8~(R)9~(S)12~(R)14~(R))812dimethyl4((4pyridin2ylpiperazin1yl)methyl)213dioxatetracyclo(7500^(15)0^(1214))tetradecan3one
(1aR1bR4S4aS7R7aS9aR)79adimethyl4((4(pyridin2yl)piperazin1yl)methyl)octahydro1aHoxireno(2378)naphtho(8a1b)furan3(4H)one
135639788
InChI=1SC24H33N3O3c116671917(1526111327(141226)20534102520)21(28)2924(19)18(16)8923(2)22(24)3023h3510161922H691115H212H3t1617?18+19+222324m1s1
MFCD32650050
O=C1O(C@@)23(C@H)((C@H)1CN1CCN(CC1)c1ccccn1)CC(C@H)((C@@H)2CC(C@@)1((C@H)3O1)C)C
ZINC000004082631
ZINC000006851729
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