Vitas-M small molecule compound
methyl (2E)-3-[3-bromo-5-methoxy-4-(prop-2-yn-1-yloxy)phenyl]-2-cyanoprop-2-enoate
Catalog ID
STL416015
SMILES C#CCOc1c(Br)cc(cc1OC)/C=C(/C(=O)OC)\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 C15H12BrNO4 MW 350.17 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H12BrNO4/c1-4-5-21-14-12(16)7-10(8-13(14)19-2)6-11(9-17)15(18)20-3/h1,6-8H,5H2,2-3H3/b11-6+InChIKey
PDPZTRXLFGNIDY-IZZDOVSWSA-NSynonyms
C#CCOc1c(Br)cc(cc1OC)C=C(C(=O)OC)C#N
COC1=C(C(=CC(=C1)C=C(C#N)C(=O)OC)Br)OCC#C
InChI=1SC15H12BrNO4c145211412(16)710(813(14)192)611(917)15(18)203h168H5H223H3b116+
methyl(2E)3(3bromo5methoxy4(prop2yn1yloxy)phenyl)2cyanoprop2enoate
methyl(E)3(3bromo5methoxy4prop2ynoxyphenyl)2cyanoprop2enoate
MFCD30706911
ZINC000220955795
ZINC220955795
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