Vitas-M small molecule compound

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

Catalog ID
STK180981
SMILES N#C/C(=C\c1ccc(cc1)OCc1ccc(cc1)C(=O)O)/C(=O)Nc1cccc(c1)OC

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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 C25H20N2O5 MW 428.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20N2O5/c1-31-23-4-2-3-21(14-23)27-24(28)20(15-26)13-17-7-11-22(12-8-17)32-16-18-5-9-19(10-6-18)25(29)30/h2-14H,16H2,1H3,(H,27,28)(H,29,30)/b20-13+
InChIKey
VBMIEEAWYCFKNP-DEDYPNTBSA-N
Synonyms
766524-93-0
4((4((1E)2CYANO3((3METHOXYPHENYL)AMINO)3OXOPROP1EN1YL)PHENOXY)METHYL)BENZOICACID
4((4((E)2cyano3(3methoxyanilino)3oxoprop1enyl)phenoxy)methyl)benzoicacid
766524930
COC1=CC=CC(=C1)NC(=O)C(=CC2=CC=C(C=C2)OCC3=CC=C(C=C3)C(=O)O)C#N
InChI=1SC25H20N2O5c1312342321(1423)2724(28)20(1526)131771122(12817)3216185919(10618)25(29)30h214H16H21H3(H2728)(H2930)b2013+
MFCD03228562
N#CC(=Cc1ccc(cc1)OCc1ccc(cc1)C(=O)O)C(=O)Nc1cccc(c1)OC
ZINC000009905637
ZINC9905637

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Available files

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