Vitas-M small molecule compound
(1aR,2S,5aR,6aR,9S,9aR,9bS)-2,5a-dimethyl-9-((4-phenylpiperazin-1-yl)methyl)octahydro-2H-oxireno[2',3':4,4a]naphtho[2,3-b]furan-8(9bH)-one
Catalog ID
STL527652
SMILES O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)c1ccccc1)[C@@H]1O[C@@]31[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 C25H34N2O3 MW 410.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H34N2O3/c1-17-7-6-10-24(2)15-20-21(22-25(17,24)30-22)19(23(28)29-20)16-26-11-13-27(14-12-26)18-8-4-3-5-9-18/h3-5,8-9,17,19-22H,6-7,10-16H2,1-2H3/t17-,19?,20+,21+,22-,24+,25-/m0/s1InChIKey
ZIAHOSBBOSKRBE-GLVCFXNOSA-NSynonyms
957015-77-9(1~(R)3~(S)4~(R)8~(R)10~(R)14~(S))1014dimethyl5((4phenylpiperazin1yl)methyl)27dioxatetracyclo(8400^(13)0^(48))tetradecan6one
(1aR2S5aR6aR9S9aR9bS)25adimethyl9((4phenylpiperazin1yl)methyl)octahydro2Hoxireno(2344a)naphtho(23b)furan8(9bH)one
16397977
957015779
InChI=1SC25H34N2O3c117761024(2)152021(2225(1724)3022)19(23(28)2920)1626111327(141226)188435918h3589171922H671016H212H3t1719?20+21+2224+25m0s1
MFCD32649877
O=C1O(C@H)2(C@@H)(C1CN1CCN(CC1)c1ccccc1)(C@@H)1O(C@@)31(C@)(C2)(C)CCC(C@@H)3C
ZINC000059410298
ZINC000061996971
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