Vitas-M small molecule compound

ethyl 6-amino-5,7,7-tricyano-8-[2-(trifluoromethyl)phenyl]-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate

Catalog ID
STK748643
SMILES CCOC(=O)N1CC=C2C(C1)C(c1ccccc1C(F)(F)F)C(C(=C2C#N)N)(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 C22H18F3N5O2 MW 441.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18F3N5O2/c1-2-32-20(31)30-8-7-13-15(9-26)19(29)21(11-27,12-28)18(16(13)10-30)14-5-3-4-6-17(14)22(23,24)25/h3-7,16,18H,2,8,10,29H2,1H3
InChIKey
LPWXPHITUAWWJQ-UHFFFAOYSA-N
Synonyms
339580-83-5
339580835
CCOC(=O)N1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC=CC=C3C(F)(F)F
ethyl6amino577tricyano8(2(trifluoromethyl)phenyl)1388atetrahydroisoquinoline2carboxylate
ethyl6amino577tricyano8(2(trifluoromethyl)phenyl)1788atetrahydroisoquinoline2(3H)carboxylate
ethyl6amino577tricyano8(2(trifluoromethyl)phenyl)3788atetrahydroisoquinoline2(1H)carboxylate
InChI=1SC22H18F3N5O2c123220(31)30871315(926)19(29)21(11271228)18(16(13)1030)14534617(14)22(2324)25h371618H281029H21H3
MFCD00743629
ZINC000006194988
ZINC000006195036

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Available files

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