Vitas-M small molecule compound
3-[(E)-2-{4-[(4-bromobenzyl)oxy]-3-ethoxyphenyl}-1-cyanoethenyl]benzonitrile
Catalog ID
STK292950
SMILES CCOc1cc(ccc1OCc1ccc(cc1)Br)/C=C(\c1cccc(c1)C#N)/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 C25H19BrN2O2 MW 459.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19BrN2O2/c1-2-29-25-14-19(12-22(16-28)21-5-3-4-20(13-21)15-27)8-11-24(25)30-17-18-6-9-23(26)10-7-18/h3-14H,2,17H2,1H3/b22-12-InChIKey
NZKUEKPSXKVOBW-UUYOSTAYSA-NSynonyms
3((E)2(4((4BROMOBENZYL)OXY)3ETHOXYPHENYL)1CYANOETHENYL)BENZONITRILE
3((E)2(4((4BROMOPHENYL)METHOXY)3ETHOXYPHENYL)1CYANOETHENYL)BENZONITRILE
CCOC1=C(C=CC(=C1)C=C(C#N)C2=CC=CC(=C2)C#N)OCC3=CC=C(C=C3)Br
CCOc1cc(ccc1OCc1ccc(cc1)Br)C=C(c1cccc(c1)C#N)C#N
InChI=1SC25H19BrN2O2c1229251419(1222(1628)2153420(1321)1527)81124(25)3017186923(26)10718h314H217H21H3b2212
MFCD06632119
ZINC000016474355
ZINC16474355
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