Vitas-M small molecule compound
2-amino-4-[3-bromo-4-(naphthalen-2-ylmethoxy)phenyl]-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Catalog ID
STL379723
SMILES N#CC1=C(N)OC2=C(C1c1ccc(c(c1)Br)OCc1ccc3c(c1)cccc3)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 C27H21BrN2O3 MW 501.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21BrN2O3/c28-21-13-19(25-20(14-29)27(30)33-24-7-3-6-22(31)26(24)25)10-11-23(21)32-15-16-8-9-17-4-1-2-5-18(17)12-16/h1-2,4-5,8-13,25H,3,6-7,15,30H2InChIKey
PXABCBRYQJYLHR-UHFFFAOYSA-NSynonyms
2amino4(3bromo4(naphthalen2ylmethoxy)phenyl)5oxo4678tetrahydrochromene3carbonitrile
2amino4(3bromo4(naphthalen2ylmethoxy)phenyl)5oxo5678tetrahydro4Hchromene3carbonitrile
C1CC2=C(C(C(=C(O2)N)C#N)C3=CC(=C(C=C3)OCC4=CC5=CC=CC=C5C=C4)Br)C(=O)C1
InChI=1SC27H21BrN2O3c28211319(2520(1429)27(30)332473622(31)26(24)25)101123(21)3215168917412518(17)1216h124581325H3671530H2
MFCD05816062
ZINC000001146291
ZINC000001146292
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