Vitas-M small molecule compound
(2E)-3-{4-[(2,6-dichlorobenzyl)oxy]-3-methoxyphenyl}-2-[(4-methylphenyl)carbonyl]prop-2-enenitrile
Catalog ID
STK249107
SMILES N#C/C(=C\c1ccc(c(c1)OC)OCc1c(Cl)cccc1Cl)/C(=O)c1ccc(cc1)C
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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 C25H19Cl2NO3 MW 452.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19Cl2NO3/c1-16-6-9-18(10-7-16)25(29)19(14-28)12-17-8-11-23(24(13-17)30-2)31-15-20-21(26)4-3-5-22(20)27/h3-13H,15H2,1-2H3/b19-12+InChIKey
TYOOUMXNUXXBQH-XDHOZWIPSA-NSynonyms
(2E)3(4((26dichlorobenzyl)oxy)3methoxyphenyl)2((4methylphenyl)carbonyl)prop2enenitrile
(E)3(4((26dichlorophenyl)methoxy)3methoxyphenyl)2(4methylbenzoyl)prop2enenitrile
CC1=CC=C(C=C1)C(=O)C(=CC2=CC(=C(C=C2)OCC3=C(C=CC=C3Cl)Cl)OC)C#N
InChI=1SC25H19Cl2NO3c1166918(10716)25(29)19(1428)121781123(24(1317)302)31152021(26)43522(20)27h313H15H212H3b1912+
MFCD08680887
N#CC(=Cc1ccc(c(c1)OC)OCc1c(Cl)cccc1Cl)C(=O)c1ccc(cc1)C
ZINC000009668272
ZINC09668272
ZINC9668272
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