Vitas-M small molecule compound
(2E)-1-[2-(benzyloxy)-5-fluorophenyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-en-1-one
Catalog ID
STK533902
SMILES Fc1ccc(c(c1)C(=O)/C=C/c1ccc2c(c1)OCCCO2)OCc1ccccc1
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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 C25H21FO4 MW 404.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21FO4/c26-20-9-12-23(30-17-19-5-2-1-3-6-19)21(16-20)22(27)10-7-18-8-11-24-25(15-18)29-14-4-13-28-24/h1-3,5-12,15-16H,4,13-14,17H2/b10-7+InChIKey
FPYMZELCSOUODX-JXMROGBWSA-NSynonyms
299951-08-9(2E)1(2(benzyloxy)5fluorophenyl)3(34dihydro2H15benzodioxepin7yl)prop2en1one
(E)1(2(benzyloxy)5fluorophenyl)3(34dihydro2Hbenzo(b)(14)dioxepin7yl)prop2en1one
(E)3(34DIHYDRO2H15BENZODIOXEPIN7YL)1(5FLUORO2PHENYLMETHOXYPHENYL)PROP2EN1ONE
299951089
C1COC2=C(C=C(C=C2)C=CC(=O)C3=C(C=CC(=C3)F)OCC4=CC=CC=C4)OC1
Fc1ccc(c(c1)C(=O)C=Cc1ccc2c(c1)OCCCO2)OCc1ccccc1
InChI=1SC25H21FO4c262091223(3017195213619)21(1620)22(27)107188112425(1518)29144132824h135121516H4131417H2b107+
MFCD00710016
ZINC000004771526
ZINC04771526
ZINC4771526
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