Vitas-M small molecule compound
(2E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2-hydroxyphenyl)prop-2-en-1-one
Catalog ID
STK630697
SMILES O=C(c1ccccc1O)/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 C18H16O4 MW 296.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16O4/c19-15-5-2-1-4-14(15)16(20)8-6-13-7-9-17-18(12-13)22-11-3-10-21-17/h1-2,4-9,12,19H,3,10-11H2/b8-6+InChIKey
CZBXCNIZJYDXHG-SOFGYWHQSA-NSynonyms
149744-51-4(2E)3(34dihydro2H15benzodioxepin7yl)1(2hydroxyphenyl)prop2en1one
(E)3(34DIHYDRO2H15BENZODIOXEPIN7YL)1(2HYDROXYPHENYL)2PROPEN1ONE
(E)3(34DIHYDRO2H15BENZODIOXEPIN7YL)1(2HYDROXYPHENYL)PROP2EN1ONE
(E)3(34dihydro2Hbenzo(b)(14)dioxepin7yl)1(2hydroxyphenyl)prop2en1one
(E)3(34DIHYDRO2HBENZO(B)(14)DIOXEPIN7YL)1(2HYDROXYPHENYL)PROPENONE
149744514
C1COC2=C(C=C(C=C2)C=CC(=O)C3=CC=CC=C3O)OC1
InChI=1SC18H16O4c1915521414(15)16(20)8613791718(1213)22113102117h12491219H31011H2b86+
MFCD00101638
O=C(c1ccccc1O)C=Cc1ccc2c(c1)OCCCO2
ZINC000004070534
ZINC04070534
ZINC4070534
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