Vitas-M small molecule compound
ethyl (3-cyano-7,7-dimethyl-5-oxo-4-phenyl-5,6,7,8-tetrahydro-4H-chromen-2-yl)imidoformate
Catalog ID
STK752497
SMILES CCO/C=N/C1=C(C#N)C(C2=C(O1)CC(C)(C)CC2=O)c1ccccc1
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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 C21H22N2O3 MW 350.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O3/c1-4-25-13-23-20-15(12-22)18(14-8-6-5-7-9-14)19-16(24)10-21(2,3)11-17(19)26-20/h5-9,13,18H,4,10-11H2,1-3H3/b23-13+InChIKey
OTXRXUZLUGWTIH-YDZHTSKRSA-NSynonyms
CCOC=NC1=C(C#N)C(C2=C(O1)CC(C)(C)CC2=O)c1ccccc1
CCOC=NC1=C(C(C2=C(O1)CC(CC2=O)(C)C)C3=CC=CC=C3)C#N
ETHYL(1E)N(3CYANO77DIMETHYL5OXO4PHENYL68DIHYDRO4HCHROMEN2YL)METHANIMIDATE
ethyl(3cyano77dimethyl5oxo4phenyl5678tetrahydro4Hchromen2yl)imidoformate
InChI=1SC21H22N2O3c142513232015(1222)18(148657914)1916(24)1021(23)1117(19)2620h591318H41011H213H3b2313+
MFCD00820686
ZINC000002466126
ZINC000002466129
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