Vitas-M small molecule compound
6-amino-8-(4-fluorophenyl)-8,8a-dihydro-1H-isothiochromene-5,7,7(3H)-tricarbonitrile
Catalog ID
STK730537
SMILES N#CC1=C(N)C(C(C2C1=CCSC2)c1ccc(cc1)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 C18H13FN4S MW 336.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13FN4S/c19-12-3-1-11(2-4-12)16-15-8-24-6-5-13(15)14(7-20)17(23)18(16,9-21)10-22/h1-5,15-16H,6,8,23H2InChIKey
OWRZYFCVHSQAEN-UHFFFAOYSA-NSynonyms
(8R8aS)6amino8(4fluorophenyl)88adihydro1Hisothiochromene577(3H)tricarbonitrile
6amino8(4fluorophenyl)1388atetrahydroisothiochromene577tricarbonitrile
6amino8(4fluorophenyl)88adihydro1Hisothiochromene577(3H)tricarbonitrile
C1C=C2C(CS1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC=C(C=C3)F
InChI=1SC18H13FN4Sc19123111(2412)16158246513(15)14(720)17(23)18(16921)1022h151516H6823H2
MFCD00855429
N#CC1=C(N)C((C@H)((C@H)2C1=CCSC2)c1ccc(cc1)F)(C#N)C#N
ZINC000000048890
ZINC000020026738
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