Vitas-M small molecule compound
3-{5-[(1E)-2-cyano-3-(dimethylamino)-3-oxoprop-1-en-1-yl]furan-2-yl}-2-methylbenzoic acid
Catalog ID
STK004024
SMILES N#C/C(=C\c1ccc(o1)c1cccc(c1C)C(=O)O)/C(=O)N(C)C
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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 C18H16N2O4 MW 324.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N2O4/c1-11-14(5-4-6-15(11)18(22)23)16-8-7-13(24-16)9-12(10-19)17(21)20(2)3/h4-9H,1-3H3,(H,22,23)/b12-9+InChIKey
RCEILGPJESSNCG-FMIVXFBMSA-NSynonyms
3(5((1E)2(NNDIMETHYLCARBAMOYL)2CYANOVINYL)(2FURYL))2METHYLBENZOICACID
3(5((1E)2CYANO3(DIMETHYLAMINO)3OXOPROP1EN1YL)FURAN2YL)2METHYLBENZOICACID
3(5((E)2CYANO3(DIMETHYLAMINO)3OXOPROP1ENYL)FURAN2YL)2METHYLBENZOICACID
CC1=C(C=CC=C1C(=O)O)C2=CC=C(O2)C=C(C#N)C(=O)N(C)C
InChI=1SC18H16N2O4c11114(54615(11)18(22)23)168713(2416)912(1019)17(21)20(2)3h49H13H3(H2223)b129+
MFCD02796584
N#CC(=Cc1ccc(o1)c1cccc(c1C)C(=O)O)C(=O)N(C)C
STK004024
ZINC000000037487
ZINC37487
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