Vitas-M small molecule compound
(1aR,2S,5aR,6aR,9S,9aR,9bS)-9-((4-(2-fluorophenyl)piperazin-1-yl)methyl)-2,5a-dimethyloctahydro-2H-oxireno[2',3':4,4a]naphtho[2,3-b]furan-8(9bH)-one
Catalog ID
STL527470
SMILES O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)c1ccccc1F)[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 C25H33FN2O3 MW 428.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H33FN2O3/c1-16-6-5-9-24(2)14-20-21(22-25(16,24)31-22)17(23(29)30-20)15-27-10-12-28(13-11-27)19-8-4-3-7-18(19)26/h3-4,7-8,16-17,20-22H,5-6,9-15H2,1-2H3/t16-,17?,20+,21+,22-,24+,25-/m0/s1InChIKey
KIZXOVDPLWWWDO-SEAPFDKASA-NSynonyms
957015-71-3(1~(R)3~(S)4~(R)8~(R)10~(R)14~(S))5((4(2fluorophenyl)piperazin1yl)methyl)1014dimethyl27dioxatetracyclo(8400^(13)0^(48))tetradecan6one
(1aR2S5aR6aR9S9aR9bS)9((4(2fluorophenyl)piperazin1yl)methyl)25adimethyloctahydro2Hoxireno(2344a)naphtho(23b)furan8(9bH)one
16397954
957015713
InChI=1SC25H33FN2O3c11665924(2)142021(2225(1624)3122)17(23(29)3020)1527101228(131127)19843718(19)26h347816172022H56915H212H3t1617?20+21+2224+25m0s1
MFCD32649862
O=C1O(C@H)2(C@@H)(C1CN1CCN(CC1)c1ccccc1F)(C@@H)1O(C@@)31(C@)(C2)(C)CCC(C@@H)3C
ZINC000059410291
ZINC000061996968
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