Vitas-M small molecule compound

N-[4,6-di(morpholin-4-yl)-1,3,5-triazin-2-yl]-4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazin-2-amine

Catalog ID
STK079931
SMILES FC(C(C(F)(F)F)(C(F)(F)F)c1nc(Nc2nc(nc(n2)N2CCOCC2)N2CCOCC2)nc(n1)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(F)F

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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 C22H17F18N9O2 MW 781.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17F18N9O2/c23-17(24,25)15(18(26,27)28,19(29,30)31)9-41-10(16(20(32,33)34,21(35,36)37)22(38,39)40)43-11(42-9)44-12-45-13(48-1-5-50-6-2-48)47-14(46-12)49-3-7-51-8-4-49/h1-8H2,(H,41,42,43,44,45,46,47)
InChIKey
QLOFFHKTIIZBRA-UHFFFAOYSA-N
Synonyms

C1COCCN1C2=NC(=NC(=N2)NC3=NC(=NC(=N3)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)N4CCOCC4
FC(C(C(F)(F)F)(C(F)(F)F)c1nc(Nc2nc(nc(n2)N2CCOCC2)N2CCOCC2)nc(n1)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(F)F
InChI=1SC22H17F18N9O2c2317(2425)15(18(2627)2819(2930)31)94110(16(20(3233)3421(3536)37)22(3839)40)4311(429)44124513(4815506248)4714(4612)4937518449h18H2(H41424344454647)
MFCD06652364
N(46di(morpholin4yl)135triazin2yl)46bis(111333hexafluoro2(trifluoromethyl)propan2yl)135triazin2amine
N(46dimorpholin4yl135triazin2yl)46bis(111333hexafluoro2(trifluoromethyl)propan2yl)135triazin2amine
STK079931
ZINC000097940236
ZINC97940236

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.