Vitas-M small molecule compound
methyl {5-bromo-4-[(1Z)-2-cyano-3-oxo-3-(phenylamino)prop-1-en-1-yl]-2-methoxyphenoxy}acetate
Catalog ID
STK186321
SMILES COc1cc(/C=C(\C(=O)Nc2ccccc2)/C#N)c(cc1OCC(=O)OC)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 C20H17BrN2O5 MW 445.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17BrN2O5/c1-26-17-9-13(16(21)10-18(17)28-12-19(24)27-2)8-14(11-22)20(25)23-15-6-4-3-5-7-15/h3-10H,12H2,1-2H3,(H,23,25)/b14-8-InChIKey
UFLSPDDDOXFMPA-ZSOIEALJSA-NSynonyms
COC1=C(C=C(C(=C1)C=C(C#N)C(=O)NC2=CC=CC=C2)Br)OCC(=O)OC
COc1cc(C=C(C(=O)Nc2ccccc2)C#N)c(cc1OCC(=O)OC)Br
InChI=1SC20H17BrN2O5c12617913(16(21)1018(17)281219(24)272)814(1122)20(25)23156435715h310H12H212H3(H2325)b148
METHYL(5BROMO4((1Z)2CYANO3OXO3(PHENYLAMINO)PROP1EN1YL)2METHOXYPHENOXY)ACETATE
methyl2(4((Z)3anilino2cyano3oxoprop1enyl)5bromo2methoxyphenoxy)acetate
MFCD02193906
ZINC000009310842
ZINC09310842
ZINC9310842
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