Vitas-M small molecule compound
(2Z)-3-{3-ethoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl}-2-(4-nitrophenyl)prop-2-enenitrile
Catalog ID
STK392769
SMILES CCOc1cc(ccc1OCCOc1ccc(cc1)C)/C=C(/c1ccc(cc1)[N+](=O)[O-])\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 C26H24N2O5 MW 444.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24N2O5/c1-3-31-26-17-20(16-22(18-27)21-7-9-23(10-8-21)28(29)30)6-13-25(26)33-15-14-32-24-11-4-19(2)5-12-24/h4-13,16-17H,3,14-15H2,1-2H3/b22-16+InChIKey
ZBFMHFXUXQVSAJ-CJLVFECKSA-NSynonyms
(2Z)3(3ethoxy4(2(4methylphenoxy)ethoxy)phenyl)2(4nitrophenyl)prop2enenitrile
(Z)3(3ETHOXY4(2(4METHYLPHENOXY)ETHOXY)PHENYL)2(4NITROPHENYL)PROP2ENENITRILE
CCOC1=C(C=CC(=C1)C=C(C#N)C2=CC=C(C=C2)(N+)(=O)(O))OCCOC3=CC=C(C=C3)C
CCOc1cc(ccc1OCCOc1ccc(cc1)C)C=C(c1ccc(cc1)(N+)(=O)(O))C#N
InChI=1SC26H24N2O5c1331261720(1622(1827)217923(10821)28(29)30)61325(26)331514322411419(2)51224h4131617H31415H212H3b2216+
MFCD02914382
ZINC000004182076
ZINC04182076
ZINC4182076
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