Vitas-M small molecule compound
6-amino-8-[2-(trifluoromethyl)phenyl]-8,8a-dihydro-1H-isothiochromene-5,7,7(3H)-tricarbonitrile
Catalog ID
STK748792
SMILES N#CC1=C(N)C(C(C2C1=CCSC2)c1ccccc1C(F)(F)F)(C#N)C#N
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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 C19H13F3N4S MW 386.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H13F3N4S/c20-19(21,22)15-4-2-1-3-12(15)16-14-8-27-6-5-11(14)13(7-23)17(26)18(16,9-24)10-25/h1-5,14,16H,6,8,26H2InChIKey
UAPYAUOPIUSTSK-UHFFFAOYSA-NSynonyms
6amino8(2(trifluoromethyl)phenyl)1388atetrahydroisothiochromene577tricarbonitrile
6amino8(2(trifluoromethyl)phenyl)88adihydro1Hisothiochromene577(3H)tricarbonitrile
C1C=C2C(CS1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC=CC=C3C(F)(F)F
InChI=1SC19H13F3N4Sc2019(2122)15421312(15)16148276511(14)13(723)17(26)18(16924)1025h151416H6826H2
MFCD00743868
ZINC000001052094
ZINC000001052100
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