Vitas-M small molecule compound
4-[(1E)-2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl]benzoic acid
Catalog ID
STK362033
SMILES CCOC(=O)/C(=C/c1ccc(cc1)C(=O)O)/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 C13H11NO4 MW 245.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H11NO4/c1-2-18-13(17)11(8-14)7-9-3-5-10(6-4-9)12(15)16/h3-7H,2H2,1H3,(H,15,16)/b11-7+InChIKey
APDBRVMOZRCWIF-YRNVUSSQSA-NSynonyms
(E)P(2CYANO2(ETHOXYCARBONYL)VINYL)BENZOICACID
4((1E)2CYANO3ETHOXY3OXOPROP1EN1YL)BENZOICACID
4((E)2CYANO3ETHOXY3OXOPROP1ENYL)BENZOICACID
CCOC(=O)C(=CC1=CC=C(C=C1)C(=O)O)C#N
CCOC(=O)C(=Cc1ccc(cc1)C(=O)O)C#N
InChI=1SC13H11NO4c121813(17)11(814)793510(649)12(15)16h37H2H21H3(H1516)b117+
MFCD00999292
ZINC000004524317
ZINC4524317
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