Vitas-M small molecule compound

(2E)-1-(1,3-benzodioxol-5-yl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one

Catalog ID
STK317821
SMILES COc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)ccc1OC

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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 C18H16O5 MW 312.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16O5/c1-20-15-7-4-12(9-17(15)21-2)3-6-14(19)13-5-8-16-18(10-13)23-11-22-16/h3-10H,11H2,1-2H3/b6-3+
InChIKey
GGMKKMHAXFYCRV-ZZXKWVIFSA-N
Synonyms
88775-45-5
(2E)1(13BENZODIOXOL5YL)3(34DIMETHOXYPHENYL)PROP2EN1ONE
(2E)1(2HBENZO(34D)13DIOXOLAN5YL)3(34DIMETHOXYPHENYL)PROP2EN1ONE
(2E)1(2HBENZO(D)13DIOXOLEN5YL)3(34DIMETHOXYPHENYL)PROP2EN1ONE
(E)1(13BENZODIOXOL5YL)3(34DIMETHOXYPHENYL)PROP2EN1ONE
(E)1(13BENZODIOXOLE5YL)3(34DIMETHOXYPHENYL)2PROPENE1ONE
1(13BENZODIOXOL5YL)3(34DIMETHOXYPHENYL)2PROPEN1ONE
2PROPEN1ONE3BENZODIOXOL5YL)3(34DIMETHOXYPHENYL)(E)
88775455
COC1=C(C=C(C=C1)C=CC(=O)C2=CC3=C(C=C2)OCO3)OC
COc1cc(C=CC(=O)c2ccc3c(c2)OCO3)ccc1OC
InChI=1SC18H16O5c120157412(917(15)212)3614(19)13581618(1013)23112216h310H11H212H3b63+
MFCD04053188
ZINC000005124993
ZINC05124993
ZINC5124993

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Available files

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