Vitas-M small molecule compound
(2E)-1-(1,3-benzodioxol-5-yl)-3-[(2-bromo-4-methylphenyl)amino]prop-2-en-1-one
Catalog ID
STK902308
SMILES Cc1ccc(c(c1)Br)N/C=C/C(=O)c1ccc2c(c1)OCO2
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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 C17H14BrNO3 MW 360.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14BrNO3/c1-11-2-4-14(13(18)8-11)19-7-6-15(20)12-3-5-16-17(9-12)22-10-21-16/h2-9,19H,10H2,1H3/b7-6+InChIKey
MJFVWEHYPGFQLN-VOTSOKGWSA-NSynonyms
(2E)1(13benzodioxol5yl)3((2bromo4methylphenyl)amino)prop2en1one
(E)1(13benzodioxol5yl)3(2bromo4methylanilino)prop2en1one
CC1=CC(=C(C=C1)NC=CC(=O)C2=CC3=C(C=C2)OCO3)Br
Cc1ccc(c(c1)Br)NC=CC(=O)c1ccc2c(c1)OCO2
InChI=1SC17H14BrNO3c1112414(13(18)811)197615(20)12351617(912)22102116h2919H10H21H3b76+
MFCD18174834
ZINC000044842782
ZINC44842782
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