Vitas-M small molecule compound
ethyl (2E)-2-cyano-3-{4-[(2-fluorobenzyl)oxy]-3-iodo-5-methoxyphenyl}prop-2-enoate
Catalog ID
STK007973
SMILES CCOC(=O)/C(=C/c1cc(I)c(c(c1)OC)OCc1ccccc1F)/C#N
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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 C20H17FINO4 MW 481.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17FINO4/c1-3-26-20(24)15(11-23)8-13-9-17(22)19(18(10-13)25-2)27-12-14-6-4-5-7-16(14)21/h4-10H,3,12H2,1-2H3/b15-8+InChIKey
ITTZCYZABUZYOU-OVCLIPMQSA-NSynonyms
CCOC(=O)C(=CC1=CC(=C(C(=C1)I)OCC2=CC=CC=C2F)OC)C#N
CCOC(=O)C(=Cc1cc(I)c(c(c1)OC)OCc1ccccc1F)C#N
ETHYL(2E)2CYANO3(4((2FLUOROBENZYL)OXY)3IODO5METHOXYPHENYL)PROP2ENOATE
ETHYL(E)2CYANO3(4((2FLUOROPHENYL)METHOXY)3IODO5METHOXYPHENYL)PROP2ENOATE
InChI=1SC20H17FINO4c132620(24)15(1123)813917(22)19(18(1013)252)271214645716(14)21h410H312H212H3b158+
MFCD02206662
STK007973
ZINC000008952505
ZINC08952505
ZINC8952505
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