Vitas-M small molecule compound

(2E)-3-(7-methoxy-1,3-benzodioxol-5-yl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one

Catalog ID
STL434524
SMILES COc1cc(cc(c1OC)OC)C(=O)/C=C/c1cc(OC)c2c(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 C20H20O7 MW 372.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20O7/c1-22-15-7-12(8-18-20(15)27-11-26-18)5-6-14(21)13-9-16(23-2)19(25-4)17(10-13)24-3/h5-10H,11H2,1-4H3/b6-5+
InChIKey
BFXUMGQCPCMELH-AATRIKPKSA-N
Synonyms

(2E)3(7methoxy13benzodioxol5yl)1(345trimethoxyphenyl)prop2en1one
(E)3(7methoxy13benzodioxol5yl)1(345trimethoxyphenyl)prop2en1one
COC1=CC(=CC2=C1OCO2)C=CC(=O)C3=CC(=C(C(=C3)OC)OC)OC
COc1cc(cc(c1OC)OC)C(=O)C=Cc1cc(OC)c2c(c1)OCO2
InChI=1SC20H20O7c12215712(81820(15)27112618)5614(21)13916(232)19(254)17(1013)243h510H11H214H3b65+
MFCD30711177
ZINC000096335773
ZINC96335773

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Available files

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