Vitas-M small molecule compound
(2E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-{4-methoxy-3-[(2,2,3,3-tetrafluoropropoxy)methyl]phenyl}prop-2-en-1-one
Catalog ID
STK309940
SMILES COc1ccc(cc1COCC(C(F)F)(F)F)/C=C/C(=O)c1ccc2c(c1)OCCO2
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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 C22H20F4O5 MW 440.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20F4O5/c1-28-18-6-3-14(10-16(18)12-29-13-22(25,26)21(23)24)2-5-17(27)15-4-7-19-20(11-15)31-9-8-30-19/h2-7,10-11,21H,8-9,12-13H2,1H3/b5-2+InChIKey
ORYCRGSXTRJCRU-GORDUTHDSA-NSynonyms
832120-85-1(2E)1(23dihydro14benzodioxin6yl)3(4methoxy3((2233tetrafluoropropoxy)methyl)phenyl)prop2en1one
(E)1(23dihydro14benzodioxin6yl)3(4methoxy3(2233tetrafluoropropoxymethyl)phenyl)prop2en1one
832120851
COC1=C(C=C(C=C1)C=CC(=O)C2=CC3=C(C=C2)OCCO3)COCC(C(F)F)(F)F
COc1ccc(cc1COCC(C(F)F)(F)F)C=CC(=O)c1ccc2c(c1)OCCO2
InChI=1SC22H20F4O5c128186314(1016(18)12291322(2526)21(23)24)2517(27)15471920(1115)31983019h27101121H891213H21H3b52+
MFCD04134424
ZINC000013960060
ZINC13960060
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