Vitas-M small molecule compound
(1R,2S,4Z,5R)-N-hydroxy-2-{[4-(naphthalen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-6,8-dioxabicyclo[3.2.1]octan-4-imine (non-preferred name)
Catalog ID
STK767925
SMILES O/N=C\1/C[C@H](Sc2nc(cc(n2)c2ccc3c(c2)cccc3)C(F)(F)F)[C@@H]2O[C@H]1OC2
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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 C21H16F3N3O3S MW 447.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16F3N3O3S/c22-21(23,24)18-9-14(13-6-5-11-3-1-2-4-12(11)7-13)25-20(26-18)31-17-8-15(27-28)19-29-10-16(17)30-19/h1-7,9,16-17,19,28H,8,10H2/b27-15-/t16-,17+,19-/m1/s1InChIKey
CRCGPAKBIIZFSD-UXHRZBOJSA-NSynonyms
(1R2S4Z5R)Nhydroxy2((4(naphthalen2yl)6(trifluoromethyl)pyrimidin2yl)sulfanyl)68dioxabicyclo(321)octan4imine(nonpreferredname)
(NZ)N((1R2S5R)2(4naphthalen2yl6(trifluoromethyl)pyrimidin2yl)sulfanyl68dioxabicyclo(321)octan4ylidene)hydroxylamine
C1C(C2COC(C1=NO)O2)SC3=NC(=CC(=N3)C(F)(F)F)C4=CC5=CC=CC=C5C=C4
InChI=1SC21H16F3N3O3Sc2221(2324)18914(136511312412(11)713)2520(2618)3117815(2728)19291016(17)3019h17916171928H810H2b2715t1617+19m1s1
MFCD13372136
ON=C1C(C@H)(Sc2nc(cc(n2)c2ccc3c(c2)cccc3)C(F)(F)F)(C@@H)2O(C@H)1OC2
ZINC000015240715
ZINC102882179
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