Vitas-M small molecule compound
(2Z)-3-{3-bromo-4-[2-(3,4-dimethylphenoxy)ethoxy]-5-ethoxyphenyl}-2-(3,4-dimethoxyphenyl)prop-2-enenitrile
Catalog ID
STK083735
SMILES CCOc1cc(/C=C(/c2ccc(c(c2)OC)OC)\C#N)cc(c1OCCOc1ccc(c(c1)C)C)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 C29H30BrNO5 MW 552.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30BrNO5/c1-6-34-28-16-21(14-23(18-31)22-8-10-26(32-4)27(17-22)33-5)15-25(30)29(28)36-12-11-35-24-9-7-19(2)20(3)13-24/h7-10,13-17H,6,11-12H2,1-5H3/b23-14+InChIKey
OINOBYZXKZKQHY-OEAKJJBVSA-NSynonyms
(2Z)3(3BROMO4(2(34DIMETHYLPHENOXY)ETHOXY)5ETHOXYPHENYL)2(34DIMETHOXYPHENYL)PROP2ENENITRILE
(Z)3(3BROMO4(2(34DIMETHYLPHENOXY)ETHOXY)5ETHOXYPHENYL)2(34DIMETHOXYPHENYL)PROP2ENENITRILE
CCOC1=C(C(=CC(=C1)C=C(C#N)C2=CC(=C(C=C2)OC)OC)Br)OCCOC3=CC(=C(C=C3)C)C
CCOc1cc(C=C(c2ccc(c(c2)OC)OC)C#N)cc(c1OCCOc1ccc(c(c1)C)C)Br
InChI=1SC29H30BrNO5c1634281621(1423(1831)2281026(324)27(1722)335)1525(30)29(28)36121135249719(2)20(3)1324h7101317H61112H215H3b2314+
MFCD03227834
STK083735
ZINC000097959099
ZINC97959099
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