Vitas-M small molecule compound
2-amino-4-{4-methoxy-3-[(2,2,2-trifluoroethoxy)methyl]phenyl}-4a,5,6,7-tetrahydronaphthalene-1,3,3(4H)-tricarbonitrile
Catalog ID
STK957531
SMILES N#CC1=C(N)C(C(C2C1=CCCC2)c1ccc(c(c1)COCC(F)(F)F)OC)(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 C23H21F3N4O2 MW 442.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21F3N4O2/c1-31-19-7-6-14(8-15(19)10-32-13-23(24,25)26)20-17-5-3-2-4-16(17)18(9-27)21(30)22(20,11-28)12-29/h4,6-8,17,20H,2-3,5,10,13,30H2,1H3InChIKey
GCFRRTILCGTGBQ-UHFFFAOYSA-NSynonyms
352686-96-52AMINO4(4METHOXY3((222TRIFLUOROETHOXY)METHYL)PHENYL)4A567TETRAHYDRO133(4H)NAPHTHALENETRICARBONITRILE
2amino4(4methoxy3((222trifluoroethoxy)methyl)phenyl)4a567tetrahydronaphthalene133(4H)tricarbonitrile
2AMINO4(4METHOXY3(222TRIFLUOROETHOXYMETHYL)PHENYL)4A567TETRAHYDRO4HNAPHTHALENE133TRICARBONITRILE
352686965
COC1=C(C=C(C=C1)C2C3CCCC=C3C(=C(C2(C#N)C#N)N)C#N)COCC(F)(F)F
InChI=1SC23H21F3N4O2c131197614(815(19)10321323(2425)26)2017532416(17)18(927)21(30)22(201128)1229h4681720H235101330H21H3
MFCD01450338
ZINC000000996594
ZINC000000996597
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