Vitas-M small molecule compound
(2E)-3-(2-chloro-3,4,5-trimethoxyphenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-one
Catalog ID
STL435085
SMILES COc1cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)c(c(c1OC)OC)Cl
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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 C20H19ClO6 MW 390.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19ClO6/c1-23-17-11-13(18(21)20(25-3)19(17)24-2)4-6-14(22)12-5-7-15-16(10-12)27-9-8-26-15/h4-7,10-11H,8-9H2,1-3H3/b6-4+InChIKey
LWGDUBBPIZXELE-GQCTYLIASA-NSynonyms
1706522-38-4(2E)3(2chloro345trimethoxyphenyl)1(23dihydro14benzodioxin6yl)prop2en1one
(E)3(2chloro345trimethoxyphenyl)1(23dihydro14benzodioxin6yl)prop2en1one
1706522384
COC1=C(C(=C(C(=C1)C=CC(=O)C2=CC3=C(C=C2)OCCO3)Cl)OC)OC
COc1cc(C=CC(=O)c2ccc3c(c2)OCCO3)c(c(c1OC)OC)Cl
InChI=1SC20H19ClO6c123171113(18(21)20(253)19(17)242)4614(22)12571516(1012)27982615h471011H89H213H3b64+
MFCD30711621
ZINC000096325949
ZINC96325949
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