Vitas-M small molecule compound

(1aR,2S,5aR,6aR,9S,9aR,9bS)-2,5a-dimethyl-9-((4-(4-nitrophenyl)piperazin-1-yl)methyl)octahydro-2H-oxireno[2',3':4,4a]naphtho[2,3-b]furan-8(9bH)-one

Catalog ID
STL527605
SMILES O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)c1ccc(cc1)[N+](=O)[O-])[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 C25H33N3O5 MW 455.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H33N3O5/c1-16-4-3-9-24(2)14-20-21(22-25(16,24)33-22)19(23(29)32-20)15-26-10-12-27(13-11-26)17-5-7-18(8-6-17)28(30)31/h5-8,16,19-22H,3-4,9-15H2,1-2H3/t16-,19?,20+,21+,22-,24+,25-/m0/s1
InChIKey
JBMNDNNOKRMRPC-IJQZVVLCSA-N
Synonyms
956976-05-9
(1~(R)3~(S)4~(R)8~(R)10~(R)14~(S))1014dimethyl5((4(4nitrophenyl)piperazin1yl)methyl)27dioxatetracyclo(8400^(13)0^(48))tetradecan6one
(1aR2S5aR6aR9S9aR9bS)25adimethyl9((4(4nitrophenyl)piperazin1yl)methyl)octahydro2Hoxireno(2344a)naphtho(23b)furan8(9bH)one
16397107
956976059
InChI=1SC25H33N3O5c11643924(2)142021(2225(1624)3322)19(23(29)3220)1526101227(131126)175718(8617)28(30)31h58161922H34915H212H3t1619?20+21+2224+25m0s1
MFCD32649873
O=C1O(C@H)2(C@@H)(C1CN1CCN(CC1)c1ccc(cc1)(N+)(=O)(O))(C@@H)1O(C@@)31(C@)(C2)(C)CCC(C@@H)3C
ZINC000059409691
ZINC000061992870

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Available files

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