Vitas-M small molecule compound
2-amino-4-{5-[(2-chloro-4-fluorophenoxy)methyl]-2,4-dimethylphenyl}-4a,5,6,7-tetrahydronaphthalene-1,3,3(4H)-tricarbonitrile
Catalog ID
STL175525
SMILES N#CC1=C(N)C(C(C2C1=CCCC2)c1cc(COc2ccc(cc2Cl)F)c(cc1C)C)(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 C28H24ClFN4O MW 486.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24ClFN4O/c1-16-9-17(2)22(10-18(16)13-35-25-8-7-19(30)11-24(25)29)26-21-6-4-3-5-20(21)23(12-31)27(34)28(26,14-32)15-33/h5,7-11,21,26H,3-4,6,13,34H2,1-2H3InChIKey
PBROHSRWLHJUEW-UHFFFAOYSA-NSynonyms
438214-86-92AMINO4(5((2CHLORO4FLUOROPHENOXY)METHYL)24DIMETHYLPHENYL)4A567TETRAHYDRO4HNAPHTHALENE133TRICARBONITRILE
2amino4(5((2chloro4fluorophenoxy)methyl)24dimethylphenyl)4a567tetrahydronaphthalene133(4H)tricarbonitrile
438214869
CC1=CC(=C(C=C1C2C3CCCC=C3C(=C(C2(C#N)C#N)N)C#N)COC4=C(C=C(C=C4)F)Cl)C
InChI=1SC28H24ClFN4Oc116917(2)22(1018(16)1335258719(30)1124(25)29)2621643520(21)23(1231)27(34)28(261432)1533h57112126H3461334H212H3
MFCD03312613
ZINC000002730533
ZINC000033432349
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