Vitas-M small molecule compound
2-amino-4-{4-[(4-chloro-2-methylphenoxy)methyl]-5-methylthiophen-2-yl}-4a,5,6,7-tetrahydronaphthalene-1,3,3(4H)-tricarbonitrile
Catalog ID
STL175657
SMILES N#CC1=C(N)C(C(C2C1=CCCC2)c1cc(c(s1)C)COc1ccc(cc1C)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 C26H23ClN4OS MW 475.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23ClN4OS/c1-15-9-18(27)7-8-22(15)32-12-17-10-23(33-16(17)2)24-20-6-4-3-5-19(20)21(11-28)25(31)26(24,13-29)14-30/h5,7-10,20,24H,3-4,6,12,31H2,1-2H3InChIKey
AJYUHSCOHJVWCX-UHFFFAOYSA-NSynonyms
2AMINO4(4((4CHLORO2METHYLPHENOXY)METHYL)5METHYLTHIOPHEN2YL)4A567TETRAHYDRO4HNAPHTHALENE133TRICARBONITRILE
2amino4(4((4chloro2methylphenoxy)methyl)5methylthiophen2yl)4a567tetrahydronaphthalene133(4H)tricarbonitrile
CC1=C(C=CC(=C1)Cl)OCC2=C(SC(=C2)C3C4CCCC=C4C(=C(C3(C#N)C#N)N)C#N)C
InChI=1SC26H23ClN4OSc115918(27)7822(15)3212171023(3316(17)2)2420643519(20)21(1128)25(31)26(241329)1430h57102024H3461231H212H3
MFCD03074120
ZINC000002735824
ZINC000020352771
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