Vitas-M small molecule compound
(1R,2S,5R)-2-{[6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]sulfanyl}-6,8-dioxabicyclo[3.2.1]octan-4-one (non-preferred name)
Catalog ID
STK679583
SMILES CC1CCc2c(C1)c(nc(n2)S[C@H]1CC(=O)[C@H]2O[C@@H]1CO2)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 C16H17F3N2O3S MW 374.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17F3N2O3S/c1-7-2-3-9-8(4-7)13(16(17,18)19)21-15(20-9)25-12-5-10(22)14-23-6-11(12)24-14/h7,11-12,14H,2-6H2,1H3/t7?,11-,12+,14-/m1/s1InChIKey
HNXFHWAPCAKKHP-BMVWJMLUSA-NSynonyms
(1R2S5R)2((6methyl4(trifluoromethyl)5678tetrahydroquinazolin2yl)sulfanyl)68dioxabicyclo(321)octan4one
(1R2S5R)2((6methyl4(trifluoromethyl)5678tetrahydroquinazolin2yl)sulfanyl)68dioxabicyclo(321)octan4one(nonpreferredname)
CC1CCC2=C(C1)C(=NC(=N2)SC3CC(=O)C4OCC3O4)C(F)(F)F
CC1CCc2c(C1)c(nc(n2)S(C@H)1CC(=O)(C@H)2O(C@@H)1CO2)C(F)(F)F
InChI=1SC16H17F3N2O3Sc172398(47)13(16(1718)19)2115(209)2512510(22)1423611(12)2414h7111214H26H21H3t7?1112+14m1s1
MFCD18246878
ZINC000006659564
ZINC000006659566
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