Vitas-M small molecule compound
(2E,5E)-2,5-bis[4-(difluoromethoxy)-3-ethoxybenzylidene]cyclopentanone
Catalog ID
STL171518
SMILES CCOc1cc(ccc1OC(F)F)/C=C/1\CC/C(=C\c2ccc(c(c2)OCC)OC(F)F)/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 C25H24F4O5 MW 480.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24F4O5/c1-3-31-21-13-15(5-9-19(21)33-24(26)27)11-17-7-8-18(23(17)30)12-16-6-10-20(34-25(28)29)22(14-16)32-4-2/h5-6,9-14,24-25H,3-4,7-8H2,1-2H3/b17-11+,18-12+InChIKey
NQFLXQCQKWVXFH-JYFOCSDGSA-NSynonyms
679804-32-1(2E5E)25BIS((4(DIFLUOROMETHOXY)3ETHOXYPHENYL)METHYLIDENE)CYCLOPENTAN1ONE
(2E5E)25bis(4(difluoromethoxy)3ethoxybenzylidene)cyclopentanone
679804321
CCOC1=C(C=CC(=C1)C=C2CCC(=CC3=CC(=C(C=C3)OC(F)F)OCC)C2=O)OC(F)F
CCOc1cc(ccc1OC(F)F)C=C1CCC(=Cc2ccc(c(c2)OCC)OC(F)F)C1=O
InChI=1SC25H24F4O5c1331211315(5919(21)3324(26)27)11177818(23(17)30)121661020(3425(28)29)22(1416)3242h569142425H3478H212H3b1711+1812+
MFCD04045508
ZINC000035678357
ZINC35678357
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