Vitas-M small molecule compound
4-[(4-{(1E)-2-cyano-3-[(3-methylphenyl)amino]-3-oxoprop-1-en-1-yl}phenoxy)methyl]benzoic acid
Catalog ID
STK185154
SMILES N#C/C(=C\c1ccc(cc1)OCc1ccc(cc1)C(=O)O)/C(=O)Nc1cccc(c1)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 C25H20N2O4 MW 412.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20N2O4/c1-17-3-2-4-22(13-17)27-24(28)21(15-26)14-18-7-11-23(12-8-18)31-16-19-5-9-20(10-6-19)25(29)30/h2-14H,16H2,1H3,(H,27,28)(H,29,30)/b21-14+InChIKey
XBVJZOSQKYKZKR-KGENOOAVSA-NSynonyms
357984-90-8357984908
4((4((1E)2CYANO3((3METHYLPHENYL)AMINO)3OXOPROP1EN1YL)PHENOXY)METHYL)BENZOICACID
4((4((E)2CYANO3(3METHYLANILINO)3OXOPROP1ENYL)PHENOXY)METHYL)BENZOICACID
CC1=CC(=CC=C1)NC(=O)C(=CC2=CC=C(C=C2)OCC3=CC=C(C=C3)C(=O)O)C#N
InChI=1SC25H20N2O4c11732422(1317)2724(28)21(1526)141871123(12818)3116195920(10619)25(29)30h214H16H21H3(H2728)(H2930)b2114+
MFCD02611926
N#CC(=Cc1ccc(cc1)OCc1ccc(cc1)C(=O)O)C(=O)Nc1cccc(c1)C
ZINC000002777131
ZINC2777131
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