Vitas-M small molecule compound
4-[(1E)-2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl]phenyl 3-bromobenzoate
Catalog ID
STK059062
SMILES CCOC(=O)/C(=C/c1ccc(cc1)OC(=O)c1cccc(c1)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)10-13-6-8-17(9-7-13)25-19(23)14-4-3-5-16(20)11-14/h3-11H,2H2,1H3/b15-10+InChIKey
AYNGTXPCSRSANJ-XNTDXEJSSA-NSynonyms
(4((E)2CYANO3ETHOXY3OXOPROP1ENYL)PHENYL)3BROMOBENZOATE
4((1E)2CYANO3ETHOXY3OXOPROP1EN1YL)PHENYL3BROMOBENZOATE
CCOC(=O)C(=CC1=CC=C(C=C1)OC(=O)C2=CC(=CC=C2)Br)C#N
CCOC(=O)C(=Cc1ccc(cc1)OC(=O)c1cccc(c1)Br)C#N
InChI=1SC19H14BrNO4c122418(22)15(1221)10136817(9713)2519(23)1443516(20)1114h311H2H21H3b1510+
MFCD06068163
STK059062
ZINC000009553377
ZINC09553377
ZINC9553377
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