Vitas-M small molecule compound

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

Catalog ID
STK961448
SMILES N#CC1=C(N)C(C(C2C1=CCCC2)c1ccc(c(c1)COc1ccc(c(c1)Cl)F)OC)(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 C27H22ClFN4O2 MW 488.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22ClFN4O2/c1-34-24-9-6-16(10-17(24)13-35-18-7-8-23(29)22(28)11-18)25-20-5-3-2-4-19(20)21(12-30)26(33)27(25,14-31)15-32/h4,6-11,20,25H,2-3,5,13,33H2,1H3
InChIKey
KNUOFHQYPKIAQG-UHFFFAOYSA-N
Synonyms
445236-81-7
2amino4(3((3chloro4fluorophenoxy)methyl)4methoxyphenyl)4a567tetrahydro4Hnaphthalene133tricarbonitrile
2amino4(3((3chloro4fluorophenoxy)methyl)4methoxyphenyl)4a567tetrahydronaphthalene133(4H)tricarbonitrile
445236817
COC1=C(C=C(C=C1)C2C3CCCC=C3C(=C(C2(C#N)C#N)N)C#N)COC4=CC(=C(C=C4)F)Cl
InChI=1SC27H22ClFN4O2c134249616(1017(24)1335187823(29)22(28)1118)2520532419(20)21(1230)26(33)27(251431)1532h46112025H2351333H21H3
MFCD02374087
ZINC000002775687
ZINC000002775690

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Available files

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