Vitas-M small molecule compound
4-[(1E)-2-cyano-3-oxo-3-phenylprop-1-en-1-yl]-2-ethoxyphenyl 4-tert-butylbenzoate
Catalog ID
STL582753
SMILES CCOc1cc(ccc1OC(=O)c1ccc(cc1)C(C)(C)C)/C=C(/C(=O)c1ccccc1)\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 C29H27NO4 MW 453.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27NO4/c1-5-33-26-18-20(17-23(19-30)27(31)21-9-7-6-8-10-21)11-16-25(26)34-28(32)22-12-14-24(15-13-22)29(2,3)4/h6-18H,5H2,1-4H3/b23-17+InChIKey
RBRNQNGCPCWYAN-HAVVHWLPSA-NSynonyms
4((1E)2cyano3oxo3phenylprop1en1yl)2ethoxyphenyl4tertbutylbenzoate
InChI=1SC29H27NO4c1533261820(1723(1930)27(31)2197681021)111625(26)3428(32)22121424(151322)29(23)4h618H5H214H3b2317+
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