Vitas-M small molecule compound
(2E)-1-(1,3-benzodioxol-5-yl)-3-(3,4-dichlorophenyl)prop-2-en-1-one
Catalog ID
STK764533
SMILES O=C(c1ccc2c(c1)OCO2)/C=C/c1ccc(c(c1)Cl)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 C16H10Cl2O3 MW 321.16 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H10Cl2O3/c17-12-4-1-10(7-13(12)18)2-5-14(19)11-3-6-15-16(8-11)21-9-20-15/h1-8H,9H2/b5-2+InChIKey
KSMNIYKXKSRXHJ-GORDUTHDSA-NSynonyms
(2E)1(13benzodioxol5yl)3(34dichlorophenyl)prop2en1one
(2E)1(2HBENZO(34D)13DIOXOLAN5YL)3(34DICHLOROPHENYL)PROP2EN1ONE
(E)1(13BENZODIOXOL5YL)3(34DICHLOROPHENYL)PROP2EN1ONE
C1OC2=C(O1)C=C(C=C2)C(=O)C=CC3=CC(=C(C=C3)Cl)Cl
InChI=1SC16H10Cl2O3c17124110(713(12)18)2514(19)11361516(811)2192015h18H9H2b52+
MFCD02815172
O=C(c1ccc2c(c1)OCO2)C=Cc1ccc(c(c1)Cl)Cl
ZINC000004558108
ZINC04558108
ZINC4558108
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