Vitas-M small molecule compound
(2Z)-3-[3,4-bis(benzyloxy)phenyl]-2-[4-(6-bromo-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Catalog ID
STK803712
SMILES N#C/C(=C/c1ccc(c(c1)OCc1ccccc1)OCc1ccccc1)/c1scc(n1)c1cc2cc(Br)ccc2oc1=O
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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 C35H23BrN2O4S MW 647.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H23BrN2O4S/c36-28-12-14-31-26(17-28)18-29(35(39)42-31)30-22-43-34(38-30)27(19-37)15-25-11-13-32(40-20-23-7-3-1-4-8-23)33(16-25)41-21-24-9-5-2-6-10-24/h1-18,22H,20-21H2/b27-15-InChIKey
IRDRPQAUNLSEIT-DICXZTSXSA-NSynonyms
(2Z)3(34bis(benzyloxy)phenyl)2(4(6bromo2oxo2Hchromen3yl)13thiazol2yl)prop2enenitrile
(E)3(34bis(benzyloxy)phenyl)2(4(6bromo2oxo2Hchromen3yl)thiazol2yl)acrylonitrile
(Z)3(34bis(phenylmethoxy)phenyl)2(4(6bromo2oxochromen3yl)13thiazol2yl)prop2enenitrile
C1=CC=C(C=C1)COC2=C(C=C(C=C2)C=C(C#N)C3=NC(=CS3)C4=CC5=C(C=CC(=C5)Br)OC4=O)OCC6=CC=CC=C6
InChI=1SC35H23BrN2O4Sc362812143126(1728)1829(35(39)4231)30224334(3830)27(1937)1525111332(4020237314823)33(1625)41212495261024h11822H2021H2b2715
MFCD18169488
N#CC(=Cc1ccc(c(c1)OCc1ccccc1)OCc1ccccc1)c1scc(n1)c1cc2cc(Br)ccc2oc1=O
ZINC000097968882
ZINC97968882
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