Vitas-M small molecule compound
(2Z)-3-{3-bromo-5-methoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl}-2-(3,4-dimethoxyphenyl)prop-2-enenitrile
Catalog ID
STK031083
SMILES COc1cc(/C=C(/c2ccc(c(c2)OC)OC)\C#N)cc(c1OCCOc1ccc(cc1)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 C27H26BrNO5 MW 524.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26BrNO5/c1-18-5-8-22(9-6-18)33-11-12-34-27-23(28)14-19(15-26(27)32-4)13-21(17-29)20-7-10-24(30-2)25(16-20)31-3/h5-10,13-16H,11-12H2,1-4H3/b21-13+InChIKey
JROTUWAOOOTHLM-FYJGNVAPSA-NSynonyms
(2Z)3(3BROMO5METHOXY4(2(4METHYLPHENOXY)ETHOXY)PHENYL)2(34DIMETHOXYPHENYL)PROP2ENENITRILE
(Z)3(3BROMO5METHOXY4(2(4METHYLPHENOXY)ETHOXY)PHENYL)2(34DIMETHOXYPHENYL)PROP2ENENITRILE
CC1=CC=C(C=C1)OCCOC2=C(C=C(C=C2Br)C=C(C#N)C3=CC(=C(C=C3)OC)OC)OC
COc1cc(C=C(c2ccc(c(c2)OC)OC)C#N)cc(c1OCCOc1ccc(cc1)C)Br
InChI=1SC27H26BrNO5c1185822(9618)331112342723(28)1419(1526(27)324)1321(1729)2071024(302)25(1620)313h5101316H1112H214H3b2113+
MFCD03183758
STK031083
ZINC000009144552
ZINC09144552
ZINC9144552
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