Vitas-M small molecule compound

(3E)-4-(4-methoxy-2,3,6-trimethylphenyl)but-3-en-2-one

Catalog ID
STL372779
SMILES COc1cc(C)c(c(c1C)C)/C=C/C(=O)C

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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 C14H18O2 MW 218.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H18O2/c1-9-8-14(16-5)12(4)11(3)13(9)7-6-10(2)15/h6-8H,1-5H3/b7-6+
InChIKey
NMRRLIHKRCVLLQ-VOTSOKGWSA-N
Synonyms
54757-47-0
(3E)4(4METHOXY236TRIMETHYLPHENYL)BUT3EN2ONE
(E)(4METHOXY236TRIMETHYLPHENYL)3BUTEN2ONE
(E)4(4METHOXY236TRIMETHYLPHENYL)3BUTEN2ONE
(E)4(4METHOXY236TRIMETHYLPHENYL)BUT3EN2ONE
3BUTEN2ONE4(4METHOXY236TRIMETHYLPHENYL)(E)(9CI)
4(4METHOXY236TRIMETHYLPHENYL)BUT3EN2ONE
54757470
CC1=CC(=C(C(=C1C=CC(=O)C)C)C)OC
COc1cc(C)c(c(c1C)C)C=CC(=O)C
InChI=1SC14H18O2c19814(165)12(4)11(3)13(9)7610(2)15h68H15H3b76+
MFCD00449197
ZINC000000235432
ZINC00235432
ZINC235432

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Available files

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