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SIMR-2418

Catalog No. :
ACDLOA086
CAS No. :
2694123-92-5
Molecular Formula :
C31H32F3N3O7S2
Molecular Weight :
679.74

IUPAC Name:(4aR,12aS)-7-(tert-butylamino)-9,10-bis(4-methoxyphenyl)-2-oxo-1,2,4a,12a-tetrahydro-6H-benzo[b]thiazolo[2',3':2,3]imidazo[1,5-d][1,4]oxazin-12-ium trifluoromethanesulfonate

SIMR-2418 structure diagram
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Product Information

Product NameSIMR-2418
IUPAC Name(4aR,12aS)-7-(tert-butylamino)-9,10-bis(4-methoxyphenyl)-2-oxo-1,2,4a,12a-tetrahydro-6H-benzo[b]thiazolo[2',3':2,3]imidazo[1,5-d][1,4]oxazin-12-ium trifluoromethanesulfonate
Molecular FormulaC31H32F3N3O7S2
Molecular Weight679.74
SMILESCOC1=CC=C(C2=C(C3=CC=C(OC)C=C3)N3C(NC(C)(C)C)=C4CO[C@@H]5C=CC(=O)C[C@@H]5[N+]4=C3S2)C=C1.O=S(=O)([O-])C(F)(F)F
InChI KeyPVDBWERONBFVRQ-LMIIKYDLSA-M
SynonymSIMR-2418;6H-Thiazolo[2′,3′:2,3]imidazo[5,1-c][1,4]benzoxazin-12-ium, 7-[(1,1-dimethylethyl)amino]-4a,12a-dihydro-9,10-bis(4-methoxyphenyl)-4a-methyl-2-oxo-, (4aR,12aS)-, 1,1,1-trifluoromethanesulfonate (1:1)
CAS No.2694123-92-5

Synthetic Route by SureRoute

1. ACDLOA086 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Plus
  3. ACFPSA972 route compound structure diagram
    ACFPSA9725720-07-0 In Stock
  4. Then
  5. ACDLOA086 route product structure diagram
    ACDLOA0862694123-92-5
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2. ACDLOA086 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACDLOA086 route product structure diagram
    ACDLOA0862694123-92-5
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