Vitas-M small molecule compound
(2E,5E)-2,5-bis[3-methoxy-4-(propan-2-yloxy)benzylidene]cyclopentanone
Catalog ID
STK958781
SMILES COc1cc(ccc1OC(C)C)/C=C/1\CC/C(=C\c2ccc(c(c2)OC)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 C27H32O5 MW 436.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H32O5/c1-17(2)31-23-11-7-19(15-25(23)29-5)13-21-9-10-22(27(21)28)14-20-8-12-24(32-18(3)4)26(16-20)30-6/h7-8,11-18H,9-10H2,1-6H3/b21-13+,22-14+InChIKey
BPFXIWBXTKYKNV-JFMUQQRKSA-NSynonyms
445287-82-1(2E5E)25BIS((3METHOXY4PROPAN2YLOXYPHENYL)METHYLIDENE)CYCLOPENTAN1ONE
(2E5E)25bis(3methoxy4(propan2yloxy)benzylidene)cyclopentanone
25BIS(4ISOPROPOXY3METHOXYBENZYLIDENE)CYCLOPENTANONE
445287821
CC(C)OC1=C(C=C(C=C1)C=C2CCC(=CC3=CC(=C(C=C3)OC(C)C)OC)C2=O)OC
COc1cc(ccc1OC(C)C)C=C1CCC(=Cc2ccc(c(c2)OC)OC(C)C)C1=O
InChI=1SC27H32O5c117(2)312311719(1525(23)295)132191022(27(21)28)142081224(3218(3)4)26(1620)306h781118H910H216H3b2113+2214+
MFCD02605661
ZINC000008444324
ZINC08444324
ZINC39444455
ZINC8444324
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