Vitas-M small molecule compound
(2E,6E)-2,6-bis{4-[(2-fluorobenzyl)oxy]benzylidene}-4-(2-methylbutan-2-yl)cyclohexanone
Catalog ID
STK685678
SMILES CCC(C1C/C(=C\c2ccc(cc2)OCc2ccccc2F)/C(=O)/C(=C/c2ccc(cc2)OCc2ccccc2F)/C1)(C)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 C39H38F2O3 MW 592.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H38F2O3/c1-4-39(2,3)33-23-31(21-27-13-17-34(18-14-27)43-25-29-9-5-7-11-36(29)40)38(42)32(24-33)22-28-15-19-35(20-16-28)44-26-30-10-6-8-12-37(30)41/h5-22,33H,4,23-26H2,1-3H3/b31-21+,32-22+InChIKey
UFGXJKOBKMSMSG-RWRHWQIFSA-NSynonyms
(2E6E)26BIS((4((2FLUOROPHENYL)METHOXY)PHENYL)METHYLIDENE)4(2METHYLBUTAN2YL)CYCLOHEXAN1ONE
(2E6E)26bis(4((2fluorobenzyl)oxy)benzylidene)4(2methylbutan2yl)cyclohexanone
CCC(C)(C)C1CC(=CC2=CC=C(C=C2)OCC3=CC=CC=C3F)C(=O)C(=CC4=CC=C(C=C4)OCC5=CC=CC=C5F)C1
CCC(C1CC(=Cc2ccc(cc2)OCc2ccccc2F)C(=O)C(=Cc2ccc(cc2)OCc2ccccc2F)C1)(C)C
InChI=1SC39H38F2O3c1439(23)332331(2127131734(181427)4325299571136(29)40)38(42)32(2433)2228151935(201628)44263010681237(30)41h52233H42326H213H3b3121+3222+
MFCD05860136
ZINC000100183912
ZINC100183912
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