Vitas-M small molecule compound

(2E)-3-(1,3-benzodioxol-5-yl)-1-(2-hydroxyphenyl)prop-2-en-1-one

Catalog ID
STK922250
SMILES O=C(c1ccccc1O)/C=C/c1ccc2c(c1)OCO2

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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 C16H12O4 MW 268.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12O4/c17-13-4-2-1-3-12(13)14(18)7-5-11-6-8-15-16(9-11)20-10-19-15/h1-9,17H,10H2/b7-5+
InChIKey
CWSQRPNIIOUPKK-FNORWQNLSA-N
Synonyms
16669-99-1
(2E)3(13benzodioxol5yl)1(2hydroxyphenyl)prop2en1one
(2E)3(2HBENZO(34D)13DIOXOLAN5YL)1(2HYDROXYPHENYL)PROP2EN1ONE
(E)3(13BENZODIOXOL5YL)1(2HYDROXYPHENYL)PROP2EN1ONE
16669991
2HYDROXY34METHYLENEDIOXYCHALCONE
2PROPEN1ONE3(13BENZODIOXOL5YL)1(2HYDROXYPHENYL)
2PROPEN1ONE3(13BENZODIOXOL5YL)1(2HYDROXYPHENYL)(2E)
3(13BENZODIOXOL5YL)1(2HYDROXYPHENYL)PROP2EN1ONE
3(2H13BENZODIOXOL5YL)1(2HYDROXYPHENYL)PROP2EN1ONE
3(BENZO(D)(13)DIOXOL5YL)1(2HYDROXYPHENYL)PROP2EN1ONE
C1OC2=C(O1)C=C(C=C2)C=CC(=O)C3=CC=CC=C3O
InChI=1SC16H12O4c1713421312(13)14(18)7511681516(911)20101915h1917H10H2b75+
MFCD00136244
O=C(c1ccccc1O)C=Cc1ccc2c(c1)OCO2
ZINC000004252609
ZINC04252609
ZINC4252609

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.