Vitas-M small molecule compound
2-amino-4-{3-[(4-fluorophenoxy)methyl]-2,4,6-trimethylphenyl}-4a,5,6,7-tetrahydronaphthalene-1,3,3(4H)-tricarbonitrile
Catalog ID
STK955833
SMILES N#CC1=C(N)C(C(C2C1=CCCC2)c1c(C)cc(c(c1C)COc1ccc(cc1)F)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 C29H27FN4O MW 466.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27FN4O/c1-17-12-18(2)26(19(3)25(17)14-35-21-10-8-20(30)9-11-21)27-23-7-5-4-6-22(23)24(13-31)28(34)29(27,15-32)16-33/h6,8-12,23,27H,4-5,7,14,34H2,1-3H3InChIKey
IDOAFOKWRWFTTR-UHFFFAOYSA-NSynonyms
2AMINO4(3((4FLUOROPHENOXY)METHYL)246TRIMETHYLPHENYL)4A567TETRAHYDRO4HNAPHTHALENE133TRICARBONITRILE
2amino4(3((4fluorophenoxy)methyl)246trimethylphenyl)4a567tetrahydronaphthalene133(4H)tricarbonitrile
CC1=CC(=C(C(=C1C2C3CCCC=C3C(=C(C2(C#N)C#N)N)C#N)C)COC4=CC=C(C=C4)F)C
InChI=1SC29H27FN4Oc1171218(2)26(19(3)25(17)14352110820(30)91121)2723754622(23)24(1331)28(34)29(271532)1633h68122327H4571434H213H3
MFCD02605371
ZINC000000647869
ZINC000000647873
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