Vitas-M small molecule compound
2-amino-4-{5-bromo-2-[(4-chlorobenzyl)oxy]phenyl}-4a,5,6,7-tetrahydronaphthalene-1,3,3(4H)-tricarbonitrile
Catalog ID
STL176467
SMILES N#CC1=C(N)C(C(C2C1=CCCC2)c1cc(Br)ccc1OCc1ccc(cc1)Cl)(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 C26H20BrClN4O MW 519.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20BrClN4O/c27-17-7-10-23(33-13-16-5-8-18(28)9-6-16)21(11-17)24-20-4-2-1-3-19(20)22(12-29)25(32)26(24,14-30)15-31/h3,5-11,20,24H,1-2,4,13,32H2InChIKey
GMHJSOSAUBIFCM-UHFFFAOYSA-NSynonyms
676333-54-32amino4(5bromo2((4chlorobenzyl)oxy)phenyl)4a567tetrahydronaphthalene133(4H)tricarbonitrile
2AMINO4(5BROMO2((4CHLOROPHENYL)METHOXY)PHENYL)4A567TETRAHYDRO4HNAPHTHALENE133TRICARBONITRILE
676333543
C1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=C(C=CC(=C3)Br)OCC4=CC=C(C=C4)Cl
InChI=1SC26H20BrClN4Oc271771023(3313165818(28)9616)21(1117)2420421319(20)22(1229)25(32)26(241430)1531h35112024H1241332H2
MFCD03883592
ZINC000002758610
ZINC000002758613
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