(6R)​-6,​7-​Dihydro-​6-​methoxy-​2-​nitro-​5H-​imidazo[2,​1-​b]​[1,​3]​oxazine Pretomanid

Analyte Name

(6R)-6,7-Dihydro-6-methoxy-2-nitro-5H-imidazo[2,1-b][1,3]oxazine Pretomanid

Molecular Formula

C21 H19 F3 N6 O9

Molecular Weight

556.406

Accurate Mass

556.117

SMILES

[O-][N+](=O)c1cn2C[C@H](COc2n1)OCc3ccc(OC(F)(F)F)c(CO[C@H]4COc5nc(cn5C4)[N+](=O)[O-])c3

InChI

InChI=1S/C21H19F3N6O9/c22-21(23,24)39-16-2-1-12(8-35-14-4-27-6-17(29(31)32)25-19(27)37-10-14)3-13(16)9-36-15-5-28-7-18(30(33)34)26-20(28)38-11-15/h1-3,6-7,14-15H,4-5,8-11H2/t14-,15-/m1/s1

IUPAC

(6R)-2-nitro-6-[[3-[[(6R)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl]oxymethyl]-4-(trifluoromethoxy)phenyl]methoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat