Vitas-M small molecule compound
2-amino-4-{3-methoxy-4-[(2,4,6-trimethylbenzyl)oxy]phenyl}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Catalog ID
STK955828
SMILES N#CC1=C(N)OC2=C(C1c1ccc(c(c1)OC)OCc1c(C)cc(cc1C)C)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 C27H28N2O4 MW 444.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N2O4/c1-15-10-16(2)20(17(3)11-15)14-32-22-9-8-18(12-24(22)31-4)25-19(13-28)27(29)33-23-7-5-6-21(30)26(23)25/h8-12,25H,5-7,14,29H2,1-4H3InChIKey
QBQHTOJAXJIAOB-UHFFFAOYSA-NSynonyms
438194-63-92amino4(3methoxy4((246trimethylbenzyl)oxy)phenyl)5oxo5678tetrahydro4Hchromene3carbonitrile
2amino4(3methoxy4((246trimethylphenyl)methoxy)phenyl)5oxo4678tetrahydrochromene3carbonitrile
438194639
CC1=CC(=C(C(=C1)C)COC2=C(C=C(C=C2)C3C(=C(OC4=C3C(=O)CCC4)N)C#N)OC)C
InChI=1SC27H28N2O4c1151016(2)20(17(3)1115)1432229818(1224(22)314)2519(1328)27(29)332375621(30)26(23)25h81225H571429H214H3
MFCD02605220
ZINC000000788992
ZINC000000788994
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