Vitas-M small molecule compound
2-amino-4-{4-[(3-nitrobenzyl)oxy]phenyl}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Catalog ID
STL379727
SMILES N#CC1=C(N)OC2=C(C1c1ccc(cc1)OCc1cccc(c1)[N+](=O)[O-])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 C23H19N3O5 MW 417.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19N3O5/c24-12-18-21(22-19(27)5-2-6-20(22)31-23(18)25)15-7-9-17(10-8-15)30-13-14-3-1-4-16(11-14)26(28)29/h1,3-4,7-11,21H,2,5-6,13,25H2InChIKey
ZIIFJDOTZSVJOV-UHFFFAOYSA-NSynonyms
2amino4(4((3nitrobenzyl)oxy)phenyl)5oxo5678tetrahydro4Hchromene3carbonitrile
2amino4(4((3nitrophenyl)methoxy)phenyl)5oxo4678tetrahydrochromene3carbonitrile
C1CC2=C(C(C(=C(O2)N)C#N)C3=CC=C(C=C3)OCC4=CC(=CC=C4)(N+)(=O)(O))C(=O)C1
InChI=1SC23H19N3O5c24121821(2219(27)52620(22)3123(18)25)157917(10815)30131431416(1114)26(28)29h13471121H2561325H2
MFCD04210481
N#CC1=C(N)OC2=C(C1c1ccc(cc1)OCc1cccc(c1)(N+)(=O)(O))C(=O)CCC2
ZINC000001144000
ZINC000001144001
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