Vitas-M small molecule compound

(2E)-1-(5-chloro-2-methoxyphenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-one

Catalog ID
STK925854
SMILES COc1ccc(cc1C(=O)/C=C/c1ccc2c(c1)OCCO2)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 C18H15ClO4 MW 330.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15ClO4/c1-21-16-7-4-13(19)11-14(16)15(20)5-2-12-3-6-17-18(10-12)23-9-8-22-17/h2-7,10-11H,8-9H2,1H3/b5-2+
InChIKey
XSSRVUNPQCDMQS-GORDUTHDSA-N
Synonyms

(2E)1(5chloro2methoxyphenyl)3(23dihydro14benzodioxin6yl)prop2en1one
(2E)3(2H3HBENZO(E)14DIOXAN6YL)1(5CHLORO2METHOXYPHENYL)PROP2EN1ONE
(E)1(5CHLORO2METHOXYPHENYL)3(23DIHYDRO14BENZODIOXIN6YL)PROP2EN1ONE
COC1=C(C=C(C=C1)Cl)C(=O)C=CC2=CC3=C(C=C2)OCCO3
COc1ccc(cc1C(=O)C=Cc1ccc2c(c1)OCCO2)Cl
InChI=1SC18H15ClO4c121167413(19)1114(16)15(20)5212361718(1012)23982217h271011H89H21H3b52+
MFCD01916936
ZINC000005917937
ZINC05917937
ZINC5917937

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Available files

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