Vitas-M small molecule compound
2-amino-4-{3-[(4-chloro-2-methylphenoxy)methyl]-2,5-dimethylphenyl}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Catalog ID
STL176470
SMILES N#CC1=C(N)OC2=C(C1c1cc(C)cc(c1C)COc1ccc(cc1C)Cl)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 C26H25ClN2O3 MW 448.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25ClN2O3/c1-14-9-17(13-31-22-8-7-18(27)11-15(22)2)16(3)19(10-14)24-20(12-28)26(29)32-23-6-4-5-21(30)25(23)24/h7-11,24H,4-6,13,29H2,1-3H3InChIKey
NTRIYGAYFOYEMA-UHFFFAOYSA-NSynonyms
677328-31-32amino4(3((4chloro2methylphenoxy)methyl)25dimethylphenyl)5oxo4678tetrahydrochromene3carbonitrile
2amino4(3((4chloro2methylphenoxy)methyl)25dimethylphenyl)5oxo5678tetrahydro4Hchromene3carbonitrile
677328313
CC1=CC(=C(C(=C1)C2C(=C(OC3=C2C(=O)CCC3)N)C#N)C)COC4=C(C=C(C=C4)Cl)C
InChI=1SC26H25ClN2O3c114917(1331228718(27)1115(22)2)16(3)19(1014)2420(1228)26(29)322364521(30)25(23)24h71124H461329H213H3
MFCD03883595
ZINC000002743705
ZINC000002743706
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