Vitas-M small molecule compound

4-({2-[(1E)-2-cyano-3-(dimethylamino)-3-oxoprop-1-en-1-yl]phenoxy}methyl)benzoic acid

Catalog ID
STK180973
SMILES N#C/C(=C\c1ccccc1OCc1ccc(cc1)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 C20H18N2O4 MW 350.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N2O4/c1-22(2)19(23)17(12-21)11-16-5-3-4-6-18(16)26-13-14-7-9-15(10-8-14)20(24)25/h3-11H,13H2,1-2H3,(H,24,25)/b17-11+
InChIKey
KDRJWKWSMPQKFP-GZTJUZNOSA-N
Synonyms

4((2((1E)2CYANO3(DIMETHYLAMINO)3OXOPROP1EN1YL)PHENOXY)METHYL)BENZOICACID
4((2((E)2CYANO3(DIMETHYLAMINO)3OXOPROP1ENYL)PHENOXY)METHYL)BENZOICACID
CN(C)C(=O)C(=CC1=CC=CC=C1OCC2=CC=C(C=C2)C(=O)O)C#N
InChI=1SC20H18N2O4c122(2)19(23)17(1221)1116534618(16)2613147915(10814)20(24)25h311H13H212H3(H2425)b1711+
MFCD03226623
N#CC(=Cc1ccccc1OCc1ccc(cc1)C(=O)O)C(=O)N(C)C
ZINC000004705368
ZINC4705368

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Available files

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