Vitas-M small molecule compound
2-amino-4-{3-methoxy-4-[(4-methylbenzyl)oxy]phenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Catalog ID
STK300016
SMILES N#CC1=C(N)OC2=C(C1c1ccc(c(c1)OC)OCc1ccc(cc1)C)C(=O)CC(C2)(C)C
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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/c1-16-5-7-17(8-6-16)15-32-21-10-9-18(11-22(21)31-4)24-19(14-28)26(29)33-23-13-27(2,3)12-20(30)25(23)24/h5-11,24H,12-13,15,29H2,1-4H3InChIKey
ALHOJHULCNDBIA-UHFFFAOYSA-NSynonyms
337505-90-52amino4(3methoxy4((4methylbenzyl)oxy)phenyl)77dimethyl5oxo5678tetrahydro4Hchromene3carbonitrile
2AMINO4(3METHOXY4((4METHYLPHENYL)METHOXY)PHENYL)77DIMETHYL5OXO68DIHYDRO4HCHROMENE3CARBONITRILE
337505905
CC1=CC=C(C=C1)COC2=C(C=C(C=C2)C3C(=C(OC4=C3C(=O)CC(C4)(C)C)N)C#N)OC
InChI=1SC27H28N2O4c1165717(8616)15322110918(1122(21)314)2419(1428)26(29)33231327(23)1220(30)25(23)24h51124H12131529H214H3
MFCD02048127
ZINC000000716008
ZINC000000716009
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