Vitas-M small molecule compound

(4S,4aR)-2-amino-6-tert-butyl-4-(3,4-difluorophenyl)-4a,5,6,7-tetrahydronaphthalene-1,3,3(4H)-tricarbonitrile

Catalog ID
STK543018
SMILES N#CC1=C(N)C([C@@H]([C@@H]2C1=CCC(C2)C(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 C23H22F2N4 MW 392.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22F2N4/c1-22(2,3)14-5-6-15-16(9-14)20(13-4-7-18(24)19(25)8-13)23(11-27,12-28)21(29)17(15)10-26/h4,6-8,14,16,20H,5,9,29H2,1-3H3/t14?,16-,20+/m0/s1
InChIKey
OYZPBJXCKCMVDS-PNKJRWENSA-N
Synonyms
1448178-72-0
(4S4aR)2amino6(tertbutyl)4(34difluorophenyl)4a567tetrahydronaphthalene133(4H)tricarbonitrile
(4S4aR)2amino6tertbutyl4(34difluorophenyl)4a567tetrahydro4Hnaphthalene133tricarbonitrile
(4S4aR)2amino6tertbutyl4(34difluorophenyl)4a567tetrahydronaphthalene133(4H)tricarbonitrile
1448178720
2AMINO6TERTBUTYL4(34DIFLUOROPHENYL)4A567TETRAHYDRO133(4H)NAPHTHALENETRICARBONITRILE
CC(C)(C)C1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC(=C(C=C3)F)F
InChI=1SC23H22F2N4c122(23)14561516(914)20(134718(24)19(25)813)23(11271228)21(29)17(15)1026h468141620H5929H213H3t14?1620+m0s1
MFCD18242048
N#CC1=C(N)C((C@@H)((C@@H)2C1=CCC(C2)C(C)(C)C)c1ccc(c(c1)F)F)(C#N)C#N
ZINC000001239769
ZINC000004631538

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Available files

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