Vitas-M small molecule compound
4-[(2-chloro-4-{(1E)-2-cyano-3-[(4-fluorophenyl)amino]-3-oxoprop-1-en-1-yl}phenoxy)methyl]benzoic acid
Catalog ID
STK039269
SMILES N#C/C(=C\c1ccc(c(c1)Cl)OCc1ccc(cc1)C(=O)O)/C(=O)Nc1ccc(cc1)F
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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 C24H16ClFN2O4 MW 450.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H16ClFN2O4/c25-21-12-16(11-18(13-27)23(29)28-20-8-6-19(26)7-9-20)3-10-22(21)32-14-15-1-4-17(5-2-15)24(30)31/h1-12H,14H2,(H,28,29)(H,30,31)/b18-11+InChIKey
APUOATXSGQQGQF-WOJGMQOQSA-NSynonyms
4((2CHLORO4((1E)2CYANO3((4FLUOROPHENYL)AMINO)3OXOPROP1EN1YL)PHENOXY)METHYL)BENZOICACID
4((2CHLORO4((E)2CYANO3(4FLUOROANILINO)3OXOPROP1ENYL)PHENOXY)METHYL)BENZOICACID
C1=CC(=CC=C1COC2=C(C=C(C=C2)C=C(C#N)C(=O)NC3=CC=C(C=C3)F)Cl)C(=O)O
InChI=1SC24H16ClFN2O4c25211216(1118(1327)23(29)28208619(26)7920)31022(21)3214151417(5215)24(30)31h112H14H2(H2829)(H3031)b1811+
MFCD04126471
N#CC(=Cc1ccc(c(c1)Cl)OCc1ccc(cc1)C(=O)O)C(=O)Nc1ccc(cc1)F
STK039269
ZINC000013942295
ZINC13942295
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