Vitas-M small molecule compound
(4R,4aS)-2-amino-4-[2-(trifluoromethyl)phenyl]-4a,5,6,7-tetrahydronaphthalene-1,3,3(4H)-tricarbonitrile
Catalog ID
STK748641
SMILES N#CC1=C(N)C([C@H]([C@H]2C1=CCCC2)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 C20H15F3N4 MW 368.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15F3N4/c21-20(22,23)16-8-4-3-7-14(16)17-13-6-2-1-5-12(13)15(9-24)18(27)19(17,10-25)11-26/h3-5,7-8,13,17H,1-2,6,27H2/t13-,17-/m1/s1InChIKey
XCXFQVRCVFHXAL-CXAGYDPISA-NSynonyms
(4R4AS)2AMINO4(2(TRIFLUOROMETHYL)PHENYL)4A567TETRAHYDRO4HNAPHTHALENE133TRICARBONITRILE
(4R4aS)2amino4(2(trifluoromethyl)phenyl)4a567tetrahydronaphthalene133(4H)tricarbonitrile
C1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC=CC=C3C(F)(F)F
InChI=1SC20H15F3N4c2120(2223)16843714(16)1713621512(13)15(924)18(27)19(171025)1126h35781317H12627H2t1317m1s1
MFCD13372014
N#CC1=C(N)C((C@H)((C@H)2C1=CCCC2)c1ccccc1C(F)(F)F)(C#N)C#N
ZINC000001052029
ZINC01052029
ZINC1052029
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