Vitas-M small molecule compound
2-amino-4-{5-bromo-2-[(3-fluorobenzyl)oxy]phenyl}-4a,5,6,7-tetrahydronaphthalene-1,3,3(4H)-tricarbonitrile
Catalog ID
STL176527
SMILES N#CC1=C(N)C(C(C2C1=CCCC2)c1cc(Br)ccc1OCc1cccc(c1)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 C26H20BrFN4O MW 503.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20BrFN4O/c27-17-8-9-23(33-13-16-4-3-5-18(28)10-16)21(11-17)24-20-7-2-1-6-19(20)22(12-29)25(32)26(24,14-30)15-31/h3-6,8-11,20,24H,1-2,7,13,32H2InChIKey
LXKKKJGDAAOZOH-UHFFFAOYSA-NSynonyms
676442-39-02amino4(5bromo2((3fluorobenzyl)oxy)phenyl)4a567tetrahydronaphthalene133(4H)tricarbonitrile
2AMINO4(5BROMO2((3FLUOROPHENYL)METHOXY)PHENYL)4A567TETRAHYDRO4HNAPHTHALENE133TRICARBONITRILE
676442390
C1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=C(C=CC(=C3)Br)OCC4=CC(=CC=C4)F
InChI=1SC26H20BrFN4Oc27178923(33131643518(28)1016)21(1117)2420721619(20)22(1229)25(32)26(241430)1531h368112024H1271332H2
MFCD03883605
ZINC000002752128
ZINC000023381021
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