Vitas-M small molecule compound
(2S,5aR,6aR,9S,9aR)-2,5a-dimethyl-9-((4-(pyridin-2-yl)piperazin-1-yl)methyl)octahydro-2H-oxireno[2',3':4,4a]naphtho[2,3-b]furan-8(9bH)-one
Catalog ID
STL525784
SMILES O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)c1ccccn1)C1OC31[C@](C2)(C)CCC[C@@H]3C
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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/c1-16-6-5-8-23(2)14-18-20(21-24(16,23)30-21)17(22(28)29-18)15-26-10-12-27(13-11-26)19-7-3-4-9-25-19/h3-4,7,9,16-18,20-21H,5-6,8,10-15H2,1-2H3/t16-,17?,18+,20+,21?,23+,24?/m0/s1InChIKey
YANBBNCTKQYYBJ-QDCIEFONSA-NSynonyms
1212456-90-0(2S5aR6aR9S9aR)25adimethyl9((4(pyridin2yl)piperazin1yl)methyl)octahydro2Hoxireno(2344a)naphtho(23b)furan8(9bH)one
(4~(R)8~(R)10~(R)14~(S))1014dimethyl5((4pyridin2ylpiperazin1yl)methyl)27dioxatetracyclo(8400^(13)0^(48))tetradecan6one
1212456900
16396421
InChI=1SC24H33N3O3c11665823(2)141820(2124(1623)3021)17(22(28)2918)1526101227(131126)1973492519h347916182021H5681015H212H3t1617?18+20+21?23+24?m0s1
MFCD32649806
O=C1O(C@H)2(C@@H)(C1CN1CCN(CC1)c1ccccn1)C1OC31(C@)(C2)(C)CCC(C@@H)3C
ZINC000004027402
ZINC000100743673
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