Vitas-M small molecule compound
(2Z)-3-(4-{2-[4-(butan-2-yl)phenoxy]ethoxy}-3-ethoxyphenyl)-2-(4-nitrophenyl)prop-2-enenitrile
Catalog ID
STK392773
SMILES CCOc1cc(ccc1OCCOc1ccc(cc1)C(CC)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 C29H30N2O5 MW 486.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N2O5/c1-4-21(3)23-9-13-27(14-10-23)35-16-17-36-28-15-6-22(19-29(28)34-5-2)18-25(20-30)24-7-11-26(12-8-24)31(32)33/h6-15,18-19,21H,4-5,16-17H2,1-3H3/b25-18+InChIKey
YPDZUXGTNGETKQ-XIEYBQDHSA-NSynonyms
(2Z)3(3ETHOXY4(2(4(METHYLPROPYL)PHENOXY)ETHOXY)PHENYL)2(4NITROPHENYL)PROP2ENENITRILE
(2Z)3(4(2(4(butan2yl)phenoxy)ethoxy)3ethoxyphenyl)2(4nitrophenyl)prop2enenitrile
(Z)3(4(2(4BUTAN2YLPHENOXY)ETHOXY)3ETHOXYPHENYL)2(4NITROPHENYL)PROP2ENENITRILE
CCC(C)C1=CC=C(C=C1)OCCOC2=C(C=C(C=C2)C=C(C#N)C3=CC=C(C=C3)(N+)(=O)(O))OCC
CCOc1cc(ccc1OCCOc1ccc(cc1)C(CC)C)C=C(c1ccc(cc1)(N+)(=O)(O))C#N
InChI=1SC29H30N2O5c1421(3)2391327(141023)351617362815622(1929(28)3452)1825(2030)2471126(12824)31(32)33h615181921H451617H213H3b2518+
MFCD02614844
ZINC000004196623
ZINC000004196624
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