Vitas-M small molecule compound
4-{5-[(1E)-2-cyano-3-(methylamino)-3-oxoprop-1-en-1-yl]furan-2-yl}-3-methylbenzoic acid
Catalog ID
STK179092
SMILES N#C/C(=C\c1ccc(o1)c1ccc(cc1C)C(=O)O)/C(=O)NC
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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 C17H14N2O4 MW 310.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14N2O4/c1-10-7-11(17(21)22)3-5-14(10)15-6-4-13(23-15)8-12(9-18)16(20)19-2/h3-8H,1-2H3,(H,19,20)(H,21,22)/b12-8+InChIKey
XOVJZNFEWGVNGC-XYOKQWHBSA-NSynonyms
4(5((1E)2CYANO2(NMETHYLCARBAMOYL)VINYL)(2FURYL))3METHYLBENZOICACID
4(5((1E)2CYANO3(METHYLAMINO)3OXOPROP1EN1YL)FURAN2YL)3METHYLBENZOICACID
4(5((E)2CYANO3(METHYLAMINO)3OXOPROP1ENYL)FURAN2YL)3METHYLBENZOICACID
CC1=C(C=CC(=C1)C(=O)O)C2=CC=C(O2)C=C(C#N)C(=O)NC
InChI=1SC17H14N2O4c110711(17(21)22)3514(10)156413(2315)812(918)16(20)192h38H12H3(H1920)(H2122)b128+
MFCD03835199
N#CC(=Cc1ccc(o1)c1ccc(cc1C)C(=O)O)C(=O)NC
ZINC000004544541
ZINC4544541
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