Vitas-M small molecule compound

2-amino-4-{5-[(4-bromophenoxy)methyl]-2,4-dimethylphenyl}-4a,5,6,7-tetrahydronaphthalene-1,3,3(4H)-tricarbonitrile

Catalog ID
STK955848
SMILES N#CC1=C(N)C(C(C2C1=CCCC2)c1cc(COc2ccc(cc2)Br)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 C28H25BrN4O MW 513.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25BrN4O/c1-17-11-18(2)24(12-19(17)14-34-21-9-7-20(29)8-10-21)26-23-6-4-3-5-22(23)25(13-30)27(33)28(26,15-31)16-32/h5,7-12,23,26H,3-4,6,14,33H2,1-2H3
InChIKey
IYFHUPYDJWDOHX-UHFFFAOYSA-N
Synonyms
438195-71-2
2AMINO4(5((4BROMOPHENOXY)METHYL)24DIMETHYLPHENYL)4A567TETRAHYDRO133(4H)NAPHTHALENETRICARBONITRILE
2AMINO4(5((4BROMOPHENOXY)METHYL)24DIMETHYLPHENYL)4A567TETRAHYDRO4HNAPHTHALENE133TRICARBONITRILE
2amino4(5((4bromophenoxy)methyl)24dimethylphenyl)4a567tetrahydronaphthalene133(4H)tricarbonitrile
438195712
CC1=CC(=C(C=C1C2C3CCCC=C3C(=C(C2(C#N)C#N)N)C#N)COC4=CC=C(C=C4)Br)C
InChI=1SC28H25BrN4Oc1171118(2)24(1219(17)1434219720(29)81021)2623643522(23)25(1330)27(33)28(261531)1632h57122326H3461433H212H3
MFCD03073842
ZINC000000647899
ZINC000000647902

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Available files

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