Vitas-M small molecule compound
(2E)-3-(1,3-benzodioxol-5-yl)-1-(5-chloro-2-methoxyphenyl)prop-2-en-1-one
Catalog ID
STK925852
SMILES COc1ccc(cc1C(=O)/C=C/c1ccc2c(c1)OCO2)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 C17H13ClO4 MW 316.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13ClO4/c1-20-15-7-4-12(18)9-13(15)14(19)5-2-11-3-6-16-17(8-11)22-10-21-16/h2-9H,10H2,1H3/b5-2+InChIKey
QUPFIJLWNYHLDJ-GORDUTHDSA-NSynonyms
(2E)3(13benzodioxol5yl)1(5chloro2methoxyphenyl)prop2en1one
(2E)3(2HBENZO(34D)13DIOXOLEN5YL)1(5CHLORO2METHOXYPHENYL)PROP2EN1ONE
(E)3(13BENZODIOXOL5YL)1(5CHLORO2METHOXYPHENYL)PROP2EN1ONE
COC1=C(C=C(C=C1)Cl)C(=O)C=CC2=CC3=C(C=C2)OCO3
COc1ccc(cc1C(=O)C=Cc1ccc2c(c1)OCO2)Cl
InChI=1SC17H13ClO4c120157412(18)913(15)14(19)5211361617(811)22102116h29H10H21H3b52+
MFCD01916931
ZINC000004193804
ZINC04193804
ZINC4193804
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