Vitas-M small molecule compound
(2S,5aR,6aR,9S,9aR)-2,5a-dimethyl-9-((4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)methyl)octahydro-2H-oxireno[2',3':4,4a]naphtho[2,3-b]furan-8(9bH)-one
Catalog ID
STL530732
SMILES O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)c1cccc(c1)C(F)(F)F)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 C26H33F3N2O3 MW 478.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H33F3N2O3/c1-16-5-4-8-24(2)14-20-21(22-25(16,24)34-22)19(23(32)33-20)15-30-9-11-31(12-10-30)18-7-3-6-17(13-18)26(27,28)29/h3,6-7,13,16,19-22H,4-5,8-12,14-15H2,1-2H3/t16-,19?,20+,21+,22?,24+,25?/m0/s1InChIKey
XIHIUTYLXLZFNU-FJMYVNHXSA-NSynonyms
1212480-46-0(2S5aR6aR9S9aR)25adimethyl9((4(3(trifluoromethyl)phenyl)piperazin1yl)methyl)octahydro2Hoxireno(2344a)naphtho(23b)furan8(9bH)one
(4~(R)8~(R)10~(R)14~(S))1014dimethyl5((4(3(trifluoromethyl)phenyl)piperazin1yl)methyl)27dioxatetracyclo(8400^(13)0^(48))tetradecan6one
1212480460
16403609
InChI=1SC26H33F3N2O3c11654824(2)142021(2225(1624)3422)19(23(32)3320)153091131(121030)1873617(1318)26(2728)29h36713161922H458121415H212H3t1619?20+21+22?24+25?m0s1
MFCD32649915
O=C1O(C@H)2(C@@H)(C1CN1CCN(CC1)c1cccc(c1)C(F)(F)F)C1OC31(C@)(C2)(C)CCC(C@@H)3C
ZINC000061997751
ZINC000100771579
Check stock
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