Vitas-M small molecule compound
4-{(Z)-2-[4-(6-bromo-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-2-cyanoethenyl}-2,6-dimethoxyphenyl acetate
Catalog ID
STK552626
SMILES N#C/C(=C/c1cc(OC)c(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 C25H17BrN2O6S MW 553.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H17BrN2O6S/c1-13(29)33-23-21(31-2)7-14(8-22(23)32-3)6-16(11-27)24-28-19(12-35-24)18-10-15-9-17(26)4-5-20(15)34-25(18)30/h4-10,12H,1-3H3/b16-6-InChIKey
SIPNWTSEJCIPFV-SOFYXZRVSA-NSynonyms
(4((Z)2(4(6bromo2oxochromen3yl)13thiazol2yl)2cyanoethenyl)26dimethoxyphenyl)acetate
(Z)4(2(4(6bromo2oxo2Hchromen3yl)thiazol2yl)2cyanovinyl)26dimethoxyphenylacetate
4((Z)2(4(6bromo2oxo2Hchromen3yl)13thiazol2yl)2cyanoethenyl)26dimethoxyphenylacetate
CC(=O)OC1=C(C=C(C=C1OC)C=C(C#N)C2=NC(=CS2)C3=CC4=C(C=CC(=C4)Br)OC3=O)OC
InChI=1SC25H17BrN2O6Sc113(29)332321(312)714(822(23)323)616(1127)242819(123524)181015917(26)4520(15)3425(18)30h41012H13H3b166
MFCD03671058
N#CC(=Cc1cc(OC)c(c(c1)OC)OC(=O)C)c1scc(n1)c1cc2cc(Br)ccc2oc1=O
ZINC000097966710
ZINC97966710
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