Vitas-M small molecule compound
(1R,2S,4Z,5R)-2-{[4-(difluoromethyl)-6-methylpyrimidin-2-yl]sulfanyl}-N-hydroxy-6,8-dioxabicyclo[3.2.1]octan-4-imine (non-preferred name)
Catalog ID
STK768090
SMILES O/N=C\1/C[C@H](Sc2nc(C)cc(n2)C(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 C12H13F2N3O3S MW 317.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H13F2N3O3S/c1-5-2-6(10(13)14)16-12(15-5)21-9-3-7(17-18)11-19-4-8(9)20-11/h2,8-11,18H,3-4H2,1H3/b17-7-/t8-,9+,11-/m1/s1InChIKey
DBUSUIHIHGPIMQ-CDOUWMQWSA-NSynonyms
(1R2S4Z5R)2((4(difluoromethyl)6methylpyrimidin2yl)sulfanyl)Nhydroxy68dioxabicyclo(321)octan4imine(nonpreferredname)
(4S1R5R)4(4(DIFLUOROMETHYL)6METHYLPYRIMIDIN2YLTHIO)2(HYDROXYIMINO)78DIOXABICYCLO(321)OCTANE
(NZ)N((1R2S5R)2(4(difluoromethyl)6methylpyrimidin2yl)sulfanyl68dioxabicyclo(321)octan4ylidene)hydroxylamine
CC1=CC(=NC(=N1)SC2CC(=NO)C3OCC2O3)C(F)F
InChI=1SC12H13F2N3O3Sc1526(10(13)14)1612(155)21937(1718)111948(9)2011h281118H34H21H3b177t89+11m1s1
MFCD13372139
ON=C1C(C@H)(Sc2nc(C)cc(n2)C(F)F)(C@@H)2O(C@H)1OC2
ZINC000006659524
ZINC102882208
Check stock
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Check stock on Vitas-MAvailable files
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