Vitas-M small molecule compound
(2E)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-{3-ethoxy-4-[(2-methylbenzyl)oxy]phenyl}prop-2-enamide
Catalog ID
STK472746
SMILES CCOc1cc(ccc1OCc1ccccc1C)/C=C(/C(=O)Nc1ccc2c(c1)OCCO2)\C#N
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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 C28H26N2O5 MW 470.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N2O5/c1-3-32-26-15-20(8-10-25(26)35-18-21-7-5-4-6-19(21)2)14-22(17-29)28(31)30-23-9-11-24-27(16-23)34-13-12-33-24/h4-11,14-16H,3,12-13,18H2,1-2H3,(H,30,31)/b22-14+InChIKey
MVROEEDXSILPIQ-HYARGMPZSA-NSynonyms
(2E)2cyanoN(23dihydro14benzodioxin6yl)3(3ethoxy4((2methylbenzyl)oxy)phenyl)prop2enamide
(2E)N(2H3HBENZO(34E)14DIOXAN6YL)2CYANO3(3ETHOXY4((2METHYLPHENYL)METHOXY)PHENYL)PROP2ENAMIDE
(E)2cyanoN(23dihydro14benzodioxin6yl)3(3ethoxy4((2methylphenyl)methoxy)phenyl)prop2enamide
CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC3=C(C=C2)OCCO3)OCC4=CC=CC=C4C
CCOc1cc(ccc1OCc1ccccc1C)C=C(C(=O)Nc1ccc2c(c1)OCCO2)C#N
InChI=1SC28H26N2O5c1332261520(81025(26)351821754619(21)2)1422(1729)28(31)30239112427(1623)3413123324h4111416H3121318H212H3(H3031)b2214+
MFCD07078672
ZINC000020176022
ZINC20176022
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