Vitas-M small molecule compound
(2S)-2-[(4-fluorophenyl)carbonyl]-6-thiaspiro[2.5]octane-1,1-dicarbonitrile
Catalog ID
STK843085
SMILES N#CC1(C#N)[C@H](C21CCSCC2)C(=O)c1ccc(cc1)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 C16H13FN2OS MW 300.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13FN2OS/c17-12-3-1-11(2-4-12)13(20)14-15(5-7-21-8-6-15)16(14,9-18)10-19/h1-4,14H,5-8H2/t14-/m0/s1InChIKey
MHFGNOHZAAMMMS-AWEZNQCLSA-NSynonyms
1212177-13-3(1S)1(4FLUOROBENZOYL)6THIASPIRO(25)OCTANE22DICARBONITRILE
(2S)2((4fluorophenyl)carbonyl)6thiaspiro(25)octane11dicarbonitrile
(S)2(4fluorobenzoyl)6thiaspiro(25)octane11dicarbonitrile
1212177133
C1CSCCC12C(C2(C#N)C#N)C(=O)C3=CC=C(C=C3)F
InChI=1SC16H13FN2OSc17123111(2412)13(20)1415(57218615)16(14918)1019h1414H58H2t14m0s1
MFCD18247019
N#CC1(C#N)(C@H)(C21CCSCC2)C(=O)c1ccc(cc1)F
ZINC000000204401
ZINC00204401
ZINC204401
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