Vitas-M small molecule compound
methyl (2E,4Z)-2-cyano-4-(1-hexadecylquinolin-4(1H)-ylidene)but-2-enoate
Catalog ID
STL322009
SMILES CCCCCCCCCCCCCCCCn1cc/c(=C/C=C(/C(=O)OC)\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 C31H44N2O2 MW 476.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H44N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-24-33-25-23-27(29-19-16-17-20-30(29)33)21-22-28(26-32)31(34)35-2/h16-17,19-23,25H,3-15,18,24H2,1-2H3/b27-21-,28-22+InChIKey
PSNQISXMZBYGEP-KKTFQPMKSA-NSynonyms
304867-94-5(2E4Z)methyl2cyano4(1hexadecylquinolin4(1H)ylidene)but2enoate
304867945
CCCCCCCCCCCCCCCCN1C=CC(=CC=C(C#N)C(=O)OC)C2=CC=CC=C21
CCCCCCCCCCCCCCCCn1ccc(=CC=C(C(=O)OC)C#N)c2c1cccc2
InChI=1SC31H44N2O2c13456789101112131415182433252327(291916172030(29)33)212228(2632)31(34)352h1617192325H3151824H212H3b27212822+
methyl(2E4Z)2cyano4(1hexadecylquinolin4(1H)ylidene)but2enoate
methyl(E4Z)2cyano4(1hexadecylquinolin4ylidene)but2enoate
MFCD01552904
ZINC000100167114
ZINC100167114
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