Vitas-M small molecule compound
(2E,5E)-2,5-bis[3-ethoxy-4-(propan-2-yloxy)benzylidene]cyclopentanone
Catalog ID
STK958734
SMILES CCOc1cc(ccc1OC(C)C)/C=C/1\CC/C(=C\c2ccc(c(c2)OCC)OC(C)C)/C1=O
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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 C29H36O5 MW 464.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H36O5/c1-7-31-27-17-21(9-13-25(27)33-19(3)4)15-23-11-12-24(29(23)30)16-22-10-14-26(34-20(5)6)28(18-22)32-8-2/h9-10,13-20H,7-8,11-12H2,1-6H3/b23-15+,24-16+InChIKey
VONYJVJPEGMJCS-DFEHQXHXSA-NSynonyms
445287-69-4(2E5E)25BIS((3ETHOXY4PROPAN2YLOXYPHENYL)METHYLIDENE)CYCLOPENTAN1ONE
(2E5E)25bis(3ethoxy4(propan2yloxy)benzylidene)cyclopentanone
25BIS(3ETHOXY4ISOPROPOXYBENZYLIDENE)CYCLOPENTANONE
445287694
CCOC1=C(C=CC(=C1)C=C2CCC(=CC3=CC(=C(C=C3)OC(C)C)OCC)C2=O)OC(C)C
CCOc1cc(ccc1OC(C)C)C=C1CCC(=Cc2ccc(c(c2)OCC)OC(C)C)C1=O
InChI=1SC29H36O5c1731271721(91325(27)3319(3)4)1523111224(29(23)30)1622101426(3420(5)6)28(1822)3282h9101320H781112H216H3b2315+2416+
MFCD02605609
ZINC000008444317
ZINC08444317
ZINC38204525
ZINC8444317
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