Vitas-M small molecule compound

4-(4-{4,6-bis[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-1,3,5-triazin-2-yl}piperazin-1-yl)-N-butyl-6-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-1,3,5-triazin-2-amine

Catalog ID
STK043816
SMILES CCCCNc1nc(nc(n1)N1CCN(CC1)c1nc(nc(n1)OC(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)C(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 C23H21F18N9O3 MW 813.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21F18N9O3/c1-2-3-4-42-12-43-13(45-15(44-12)51-9(18(24,25)26)19(27,28)29)49-5-7-50(8-6-49)14-46-16(52-10(20(30,31)32)21(33,34)35)48-17(47-14)53-11(22(36,37)38)23(39,40)41/h9-11H,2-8H2,1H3,(H,42,43,44,45)
InChIKey
DXKDNJZTCJAPKR-UHFFFAOYSA-N
Synonyms

4(4(46bis((111333hexafluoropropan2yl)oxy)135triazin2yl)piperazin1yl)Nbutyl6((111333hexafluoropropan2yl)oxy)135triazin2amine
4(4(46bis(111333hexafluoropropan2yloxy)135triazin2yl)piperazin1yl)Nbutyl6(111333hexafluoropropan2yloxy)135triazin2amine
CCCCNC1=NC(=NC(=N1)N2CCN(CC2)C3=NC(=NC(=N3)OC(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)C(F)(F)F
CCCCNc1nc(nc(n1)N1CCN(CC1)c1nc(nc(n1)OC(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)C(F)(F)F
InChI=1SC23H21F18N9O3c123442124313(4515(4412)519(18(2425)26)19(2728)29)495750(8649)144616(5210(20(3031)32)21(3334)35)4817(4714)5311(22(3637)38)23(3940)41h911H28H21H3(H42434445)
MFCD06652339
STK043816
ZINC000097940225
ZINC97940225

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Available files

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