Vitas-M small molecule compound
(3E)-3-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-5-(4-methylphenyl)furan-2(3H)-one
Catalog ID
STL357607
SMILES Cc1ccc(cc1)C1=C/C(=C\c2cc3OCOc3cc2Br)/C(=O)O1
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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 C19H13BrO4 MW 385.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H13BrO4/c1-11-2-4-12(5-3-11)16-8-14(19(21)24-16)6-13-7-17-18(9-15(13)20)23-10-22-17/h2-9H,10H2,1H3/b14-6+InChIKey
MQIUJGNGJJBJFP-MKMNVTDBSA-NSynonyms
(3E)3((6bromo13benzodioxol5yl)methylidene)5(4methylphenyl)furan2(3H)one
(3E)3((6BROMO13BENZODIOXOL5YL)METHYLIDENE)5(4METHYLPHENYL)FURAN2ONE
(E)3((6bromobenzo(d)(13)dioxol5yl)methylene)5(ptolyl)furan2(3H)one
3(6BROMOBENZO(13)DIOXOL5YLMETHYLENE)5PTOLYL3HFURAN2ONE
CC1=CC=C(C=C1)C2=CC(=CC3=CC4=C(C=C3Br)OCO4)C(=O)O2
Cc1ccc(cc1)C1=CC(=Cc2cc3OCOc3cc2Br)C(=O)O1
InChI=1SC19H13BrO4c1112412(5311)16814(19(21)2416)61371718(915(13)20)23102217h29H10H21H3b146+
MFCD02194196
ZINC000004812353
ZINC04812353
ZINC4812353
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