Vitas-M small molecule compound
(2E,5E)-2,5-bis(3-bromo-5-ethoxy-4-methoxybenzylidene)cyclopentanone
Catalog ID
STL172635
SMILES CCOc1cc(/C=C/2\CC/C(=C\c3cc(Br)c(c(c3)OCC)OC)/C2=O)cc(c1OC)Br
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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 C25H26Br2O5 MW 566.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26Br2O5/c1-5-31-21-13-15(11-19(26)24(21)29-3)9-17-7-8-18(23(17)28)10-16-12-20(27)25(30-4)22(14-16)32-6-2/h9-14H,5-8H2,1-4H3/b17-9+,18-10+InChIKey
DCAZMXMOMXKECI-BEQMOXJMSA-NSynonyms
(2E5E)25BIS((3BROMO5ETHOXY4METHOXYPHENYL)METHYLIDENE)CYCLOPENTAN1ONE
(2E5E)25bis(3bromo5ethoxy4methoxybenzylidene)cyclopentanone
25BIS(3BROMO5ETHOXY4METHOXYBENZYLIDENE)CYCLOPENTANONE
CCOC1=C(C(=CC(=C1)C=C2CCC(=CC3=CC(=C(C(=C3)Br)OC)OCC)C2=O)Br)OC
CCOc1cc(C=C2CCC(=Cc3cc(Br)c(c(c3)OCC)OC)C2=O)cc(c1OC)Br
InChI=1SC25H26Br2O5c1531211315(1119(26)24(21)293)9177818(23(17)28)10161220(27)25(304)22(1416)3262h914H58H214H3b179+1810+
MFCD02054818
ZINC000008444020
ZINC08444020
ZINC8444020
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