Vitas-M small molecule compound

(2E)-1-[2-(benzyloxy)phenyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-en-1-one

Catalog ID
STK856901
SMILES O=C(c1ccccc1OCc1ccccc1)/C=C/c1ccc2c(c1)OCCCO2

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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 C25H22O4 MW 386.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22O4/c26-22(13-11-19-12-14-24-25(17-19)28-16-6-15-27-24)21-9-4-5-10-23(21)29-18-20-7-2-1-3-8-20/h1-5,7-14,17H,6,15-16,18H2/b13-11+
InChIKey
HHGJLRQHFMPWJB-ACCUITESSA-N
Synonyms
277325-70-9
(2E)1(2(benzyloxy)phenyl)3(34dihydro2H15benzodioxepin7yl)prop2en1one
(E)1(2(benzyloxy)phenyl)3(34dihydro2Hbenzo(b)(14)dioxepin7yl)prop2en1one
(E)3(34DIHYDRO2H15BENZODIOXEPIN7YL)1(2PHENYLMETHOXYPHENYL)PROP2EN1ONE
277325709
C1COC2=C(C=C(C=C2)C=CC(=O)C3=CC=CC=C3OCC4=CC=CC=C4)OC1
InChI=1SC25H22O4c2622(13111912142425(1719)28166152724)219451023(21)2918207213820h1571417H6151618H2b1311+
MFCD00180096
O=C(c1ccccc1OCc1ccccc1)C=Cc1ccc2c(c1)OCCCO2
ZINC000004070533
ZINC04070533
ZINC4070533

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Available files

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