Vitas-M small molecule compound
{[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetonitrile
Catalog ID
STK845190
SMILES N#CCOc1cc2oc(C)c(c(=O)c2cc1CC)c1ccc2c(c1)OCCCO2
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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 C23H21NO5 MW 391.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21NO5/c1-3-15-11-17-20(13-19(15)28-10-7-24)29-14(2)22(23(17)25)16-5-6-18-21(12-16)27-9-4-8-26-18/h5-6,11-13H,3-4,8-10H2,1-2H3InChIKey
MEUMRTLGHRBSGE-UHFFFAOYSA-NSynonyms
610764-26-6((3(34dihydro2H15benzodioxepin7yl)6ethyl2methyl4oxo4Hchromen7yl)oxy)acetonitrile
2((3(34DIHYDRO2HBENZO(B)(14)DIOXEPIN7YL)6ETHYL2METHYL4OXO4HCHROMEN7YL)OXY)ACETONITRILE
2(3(2H3H4HBENZO(B)14DIOXEPAN7YL)6ETHYL2METHYL4OXOCHROMEN7YLOXY)ETHANENITRILE
2(3(34DIHYDRO2H15BENZODIOXEPIN7YL)6ETHYL2METHYL4OXOCHROMEN7YL)OXYACETONITRILE
610764266
CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C)C3=CC4=C(C=C3)OCCCO4)OCC#N
InChI=1SC23H21NO5c1315111720(1319(15)2810724)2914(2)22(23(17)25)16561821(1216)279482618h561113H34810H212H3
MFCD03696037
ZINC000002107474
ZINC02107474
ZINC2107474
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