Vitas-M small molecule compound
(2E)-1-(3-bromo-2-hydroxyphenyl)-3-(6-chloro-4H-1,3-benzodioxin-8-yl)prop-2-en-1-one
Catalog ID
STL298231
SMILES Clc1cc(/C=C/C(=O)c2cccc(c2O)Br)c2c(c1)COCO2
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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 C17H12BrClO4 MW 395.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H12BrClO4/c18-14-3-1-2-13(16(14)21)15(20)5-4-10-6-12(19)7-11-8-22-9-23-17(10)11/h1-7,21H,8-9H2/b5-4+InChIKey
FNFOHEABPGBPDO-SNAWJCMRSA-NSynonyms
(2E)1(3BROMO2HYDROXYPHENYL)3(6CHLORO4H13BENZODIOXIN8YL)PROP2EN1ONE
(E)1(3BROMO2HYDROXYPHENYL)3(6CHLORO4H13BENZODIOXIN8YL)PROP2EN1ONE
(E)1(3bromo2hydroxyphenyl)3(6chloro4Hbenzo(d)(13)dioxin8yl)prop2en1one
C1C2=C(C(=CC(=C2)Cl)C=CC(=O)C3=C(C(=CC=C3)Br)O)OCO1
Clc1cc(C=CC(=O)c2cccc(c2O)Br)c2c(c1)COCO2
InChI=1SC17H12BrClO4c181431213(16(14)21)15(20)5410612(19)71182292317(10)11h1721H89H2b54+
ZINC04811419
ZINC4811419
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