Vitas-M small molecule compound
(2E)-3-{3-bromo-4-[(2-chlorobenzyl)oxy]-5-methoxyphenyl}-2-(4-nitrophenyl)prop-2-enenitrile
Catalog ID
STK398352
SMILES COc1cc(/C=C(\c2ccc(cc2)[N+](=O)[O-])/C#N)cc(c1OCc1ccccc1Cl)Br
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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 C23H16BrClN2O4 MW 499.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H16BrClN2O4/c1-30-22-12-15(10-18(13-26)16-6-8-19(9-7-16)27(28)29)11-20(24)23(22)31-14-17-4-2-3-5-21(17)25/h2-12H,14H2,1H3/b18-10-InChIKey
UFBBZABGTGBSAT-ZDLGFXPLSA-NSynonyms
(2E)3(3BROMO4((2CHLOROBENZYL)OXY)5METHOXYPHENYL)2(4NITROPHENYL)PROP2ENENITRILE
(E)3(3bromo4((2chlorophenyl)methoxy)5methoxyphenyl)2(4nitrophenyl)prop2enenitrile
COC1=C(C(=CC(=C1)C=C(C#N)C2=CC=C(C=C2)(N+)(=O)(O))Br)OCC3=CC=CC=C3Cl
COc1cc(C=C(c2ccc(cc2)(N+)(=O)(O))C#N)cc(c1OCc1ccccc1Cl)Br
InChI=1SC23H16BrClN2O4c130221215(1018(1326)166819(9716)27(28)29)1120(24)23(22)311417423521(17)25h212H14H21H3b1810
MFCD01443154
ZINC000030930091
ZINC30930091
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