Vitas-M small molecule compound
4-({2-[(1E)-3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl]-4-chlorophenoxy}methyl)benzoic acid
Catalog ID
STK040395
SMILES N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(cc1)C(=O)O)/C(=O)NCc1ccccc1
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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 C25H19ClN2O4 MW 446.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19ClN2O4/c26-22-10-11-23(32-16-18-6-8-19(9-7-18)25(30)31)20(13-22)12-21(14-27)24(29)28-15-17-4-2-1-3-5-17/h1-13H,15-16H2,(H,28,29)(H,30,31)/b21-12+InChIKey
YRILESQJQNLDPU-CIAFOILYSA-NSynonyms
4((2((1E)3(BENZYLAMINO)2CYANO3OXOPROP1EN1YL)4CHLOROPHENOXY)METHYL)BENZOICACID
4((2((E)3(BENZYLAMINO)2CYANO3OXOPROP1ENYL)4CHLOROPHENOXY)METHYL)BENZOICACID
C1=CC=C(C=C1)CNC(=O)C(=CC2=C(C=CC(=C2)Cl)OCC3=CC=C(C=C3)C(=O)O)C#N
InChI=1SC25H19ClN2O4c2622101123(3216186819(9718)25(30)31)20(1322)1221(1427)24(29)2815174213517h113H1516H2(H2829)(H3031)b2112+
MFCD04126486
N#CC(=Cc1cc(Cl)ccc1OCc1ccc(cc1)C(=O)O)C(=O)NCc1ccccc1
STK040395
ZINC000013942428
ZINC13942428
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