Vitas-M small molecule compound
ethyl (2E,4Z)-2-cyano-4-(1-dodecylquinolin-4(1H)-ylidene)but-2-enoate
Catalog ID
STL321726
SMILES CCCCCCCCCCCCn1cc/c(=C/C=C(/C(=O)OCC)\C#N)/c2c1cccc2
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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 C28H38N2O2 MW 434.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H38N2O2/c1-3-5-6-7-8-9-10-11-12-15-21-30-22-20-24(26-16-13-14-17-27(26)30)18-19-25(23-29)28(31)32-4-2/h13-14,16-20,22H,3-12,15,21H2,1-2H3/b24-18-,25-19+InChIKey
ZDNWLWMMEQAVHR-ZFQRDYFNSA-NSynonyms
339154-18-6(2E4Z)ethyl2cyano4(1dodecylquinolin4(1H)ylidene)but2enoate
339154186
CCCCCCCCCCCCN1C=CC(=CC=C(C#N)C(=O)OCC)C2=CC=CC=C21
CCCCCCCCCCCCn1ccc(=CC=C(C(=O)OCC)C#N)c2c1cccc2
ethyl(2E4Z)2cyano4(1dodecylquinolin4(1H)ylidene)but2enoate
ethyl(E4Z)2cyano4(1dodecylquinolin4ylidene)but2enoate
InChI=1SC28H38N2O2c1356789101112152130222024(261613141727(26)30)181925(2329)28(31)3242h1314162022H3121521H212H3b24182519+
MFCD01084823
ZINC000100672127
ZINC100672127
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