Vitas-M small molecule compound
(2E)-2-(acetylamino)-3-(3,5-dibromo-4-ethoxyphenyl)prop-2-enoic acid
Catalog ID
STK381911
SMILES CCOc1c(Br)cc(cc1Br)/C=C(\C(=O)O)/NC(=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 C13H13Br2NO4 MW 407.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13Br2NO4/c1-3-20-12-9(14)4-8(5-10(12)15)6-11(13(18)19)16-7(2)17/h4-6H,3H2,1-2H3,(H,16,17)(H,18,19)/b11-6+InChIKey
WWMKYBUAMNMFGQ-IZZDOVSWSA-NSynonyms
(2E)2(acetylamino)3(35dibromo4ethoxyphenyl)prop2enoicacid
(E)2ACETAMIDO3(35DIBROMO4ETHOXYPHENYL)PROP2ENOICACID
CCOC1=C(C=C(C=C1Br)C=C(C(=O)O)NC(=O)C)Br
CCOc1c(Br)cc(cc1Br)C=C(C(=O)O)NC(=O)C
InChI=1SC13H13Br2NO4c1320129(14)48(510(12)15)611(13(18)19)167(2)17h46H3H212H3(H1617)(H1819)b116+
MFCD03648960
ZINC000004526078
ZINC4526078
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