Vitas-M small molecule compound
(2E,4E)-4-(4-bromobenzylidene)-3-methylpent-2-enedioic acid
Catalog ID
STK525391
SMILES OC(=O)/C=C(/C(=C\c1ccc(cc1)Br)/C(=O)O)\C
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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 C13H11BrO4 MW 311.13 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H11BrO4/c1-8(6-12(15)16)11(13(17)18)7-9-2-4-10(14)5-3-9/h2-7H,1H3,(H,15,16)(H,17,18)/b8-6+,11-7+InChIKey
ZNIGSYWPHSYEND-JMFBPXTISA-NSynonyms
305865-65-0(2E4E)4(4bromobenzylidene)3methylpent2enedioicacid
(E4E)4((4BROMOPHENYL)METHYLIDENE)3METHYLPENT2ENEDIOICACID
305865650
CC(=CC(=O)O)C(=CC1=CC=C(C=C1)Br)C(=O)O
InChI=1SC13H11BrO4c18(612(15)16)11(13(17)18)792410(14)539h27H1H3(H1516)(H1718)b86+117+
MFCD01468729
OC(=O)C=C(C(=Cc1ccc(cc1)Br)C(=O)O)C
ZINC000004770285
ZINC4770285
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