Vitas-M small molecule compound
2-{[(2E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-cyanoprop-2-enoyl]amino}benzoic acid
Catalog ID
STK063085
SMILES N#C/C(=C\c1cc2OCOc2cc1Br)/C(=O)Nc1ccccc1C(=O)O
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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 C18H11BrN2O5 MW 415.20 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H11BrN2O5/c19-13-7-16-15(25-9-26-16)6-10(13)5-11(8-20)17(22)21-14-4-2-1-3-12(14)18(23)24/h1-7H,9H2,(H,21,22)(H,23,24)/b11-5+InChIKey
MDCVJSTUGFDXJJ-VZUCSPMQSA-NSynonyms
345241-44-32(((2E)3(6BROMO13BENZODIOXOL5YL)2CYANOPROP2ENOYL)AMINO)BENZOICACID
2(((E)3(6BROMO13BENZODIOXOL5YL)2CYANOPROP2ENOYL)AMINO)BENZOICACID
345241443
C1OC2=C(O1)C=C(C(=C2)C=C(C#N)C(=O)NC3=CC=CC=C3C(=O)O)Br
InChI=1SC18H11BrN2O5c191371615(2592616)610(13)511(820)17(22)2114421312(14)18(23)24h17H9H2(H2122)(H2324)b115+
MFCD02374330
N#CC(=Cc1cc2OCOc2cc1Br)C(=O)Nc1ccccc1C(=O)O
STK063085
ZINC000002776561
ZINC2776561
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