Vitas-M small molecule compound

2-{[4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-6,8-dioxabicyclo[3.2.1]octan-4-one (non-preferred name)

Catalog ID
STK341842
SMILES O=C1CC(Sc2nc(cc(n2)c2ccc3c(c2)OCO3)C(F)(F)F)C2OC1OC2

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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 C18H13F3N2O5S MW 426.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13F3N2O5S/c19-18(20,21)15-4-9(8-1-2-11-12(3-8)27-7-26-11)22-17(23-15)29-14-5-10(24)16-25-6-13(14)28-16/h1-4,13-14,16H,5-7H2
InChIKey
LDZURKXERCVMTD-UHFFFAOYSA-N
Synonyms
1093642-30-8
1093642308
2((4(13benzodioxol5yl)6(trifluoromethyl)pyrimidin2yl)sulfanyl)68dioxabicyclo(321)octan4one(nonpreferredname)
2(4(13BENZODIOXOL5YL)6(TRIFLUOROMETHYL)PYRIMIDIN2YL)SULFANYL68DIOXABICYCLO(321)OCTAN4ONE
C1C(C2COC(C1=O)O2)SC3=NC(=CC(=N3)C(F)(F)F)C4=CC5=C(C=C4)OCO5
InChI=1SC18H13F3N2O5Sc1918(2021)1549(8121112(38)2772611)2217(2315)2914510(24)1625613(14)2816h14131416H57H2
MFCD03034899
ZINC000102998784
ZINC000102998788

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Available files

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