Vitas-M small molecule compound
2-amino-4-{4-[(4-fluorophenoxy)methyl]-2,3,5,6-tetramethylphenyl}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Catalog ID
STK955881
SMILES N#CC1=C(N)OC2=C(C1c1c(C)c(C)c(c(c1C)C)COc1ccc(cc1)F)C(=O)CCC2
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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 C27H27FN2O3 MW 446.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27FN2O3/c1-14-16(3)24(17(4)15(2)21(14)13-32-19-10-8-18(28)9-11-19)25-20(12-29)27(30)33-23-7-5-6-22(31)26(23)25/h8-11,25H,5-7,13,30H2,1-4H3InChIKey
QIAPZOVHNWPTCO-UHFFFAOYSA-NSynonyms
445024-79-32amino4(4((4fluorophenoxy)methyl)2356tetramethylphenyl)5oxo4678tetrahydrochromene3carbonitrile
2amino4(4((4fluorophenoxy)methyl)2356tetramethylphenyl)5oxo5678tetrahydro4Hchromene3carbonitrile
445024793
CC1=C(C(=C(C(=C1COC2=CC=C(C=C2)F)C)C)C3C(=C(OC4=C3C(=O)CCC4)N)C#N)C
InChI=1SC27H27FN2O3c11416(3)24(17(4)15(2)21(14)13321910818(28)91119)2520(1229)27(30)332375622(31)26(23)25h81125H571330H214H3
MFCD03073900
ZINC000002789011
ZINC000002789012
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