Vitas-M small molecule compound
4-{(E)-2-[4-(6-bromo-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-2-cyanoethenyl}-2-methoxyphenyl acetate
Catalog ID
STK984015
SMILES N#C/C(=C\c1ccc(c(c1)OC)OC(=O)C)/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 C24H15BrN2O5S MW 523.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H15BrN2O5S/c1-13(28)31-21-5-3-14(8-22(21)30-2)7-16(11-26)23-27-19(12-33-23)18-10-15-9-17(25)4-6-20(15)32-24(18)29/h3-10,12H,1-2H3/b16-7+InChIKey
XRKWUSIZZXLFIW-FRKPEAEDSA-NSynonyms
(4((E)2(4(6BROMO2OXOCHROMEN3YL)13THIAZOL2YL)2CYANOETHENYL)2METHOXYPHENYL)ACETATE
(Z)4(2(4(6bromo2oxo2Hchromen3yl)thiazol2yl)2cyanovinyl)2methoxyphenylacetate
4((E)2(4(6bromo2oxo2Hchromen3yl)13thiazol2yl)2cyanoethenyl)2methoxyphenylacetate
CC(=O)OC1=C(C=C(C=C1)C=C(C#N)C2=NC(=CS2)C3=CC4=C(C=CC(=C4)Br)OC3=O)OC
InChI=1SC24H15BrN2O5Sc113(28)31215314(822(21)302)716(1126)232719(123323)181015917(25)4620(15)3224(18)29h31012H12H3b167+
MFCD18181585
N#CC(=Cc1ccc(c(c1)OC)OC(=O)C)c1scc(n1)c1cc2cc(Br)ccc2oc1=O
ZINC000103698664
ZINC103698664
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