Vitas-M small molecule compound

tert-butyl 6-amino-5,7,7-tricyano-8-(3,4-difluorophenyl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate

Catalog ID
STK539889
SMILES N#CC1=C(N)C(C(C2C1=CCN(C2)C(=O)OC(C)(C)C)c1ccc(c(c1)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 C23H21F2N5O2 MW 437.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21F2N5O2/c1-22(2,3)32-21(31)30-7-6-14-15(9-26)20(29)23(11-27,12-28)19(16(14)10-30)13-4-5-17(24)18(25)8-13/h4-6,8,16,19H,7,10,29H2,1-3H3
InChIKey
AFBTWOXPZJLSNI-UHFFFAOYSA-N
Synonyms
371138-16-8
371138168
CC(C)(C)OC(=O)N1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC(=C(C=C3)F)F
InChI=1SC23H21F2N5O2c122(23)3221(31)30761415(926)20(29)23(11271228)19(16(14)1030)134517(24)18(25)813h4681619H71029H213H3
MFCD03009076
tertbutyl6amino577tricyano8(34difluorophenyl)1388atetrahydroisoquinoline2carboxylate
tertbutyl6amino577tricyano8(34difluorophenyl)1788atetrahydroisoquinoline2(3H)carboxylate
tertbutyl6amino577tricyano8(34difluorophenyl)3788atetrahydroisoquinoline2(1H)carboxylate
ZINC000000803790
ZINC000006014862

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Available files

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