Vitas-M small molecule compound
4-[(1E)-2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl]phenyl 4-bromobenzoate
Catalog ID
STK007137
SMILES CCOC(=O)/C(=C/c1ccc(cc1)OC(=O)c1ccc(cc1)Br)/C#N
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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 C19H14BrNO4 MW 400.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H14BrNO4/c1-2-24-18(22)15(12-21)11-13-3-9-17(10-4-13)25-19(23)14-5-7-16(20)8-6-14/h3-11H,2H2,1H3/b15-11+InChIKey
RDMWZZQSDLRKSX-RVDMUPIBSA-NSynonyms
(4((E)2CYANO3ETHOXY3OXOPROP1ENYL)PHENYL)4BROMOBENZOATE
4((1E)2CYANO3ETHOXY3OXOPROP1EN1YL)PHENYL4BROMOBENZOATE
CCOC(=O)C(=CC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)Br)C#N
CCOC(=O)C(=Cc1ccc(cc1)OC(=O)c1ccc(cc1)Br)C#N
InChI=1SC19H14BrNO4c122418(22)15(1221)11133917(10413)2519(23)145716(20)8614h311H2H21H3b1511+
MFCD03065907
STK007137
ZINC000004550610
ZINC04550610
ZINC4550610
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