Vitas-M small molecule compound
2-{[(2E)-2-cyano-3-{4-[(4-fluorobenzyl)oxy]-3-methoxyphenyl}prop-2-enoyl]amino}benzoic acid
Catalog ID
STK071382
SMILES N#C/C(=C\c1ccc(c(c1)OC)OCc1ccc(cc1)F)/C(=O)Nc1ccccc1C(=O)O
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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 C25H19FN2O5 MW 446.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19FN2O5/c1-32-23-13-17(8-11-22(23)33-15-16-6-9-19(26)10-7-16)12-18(14-27)24(29)28-21-5-3-2-4-20(21)25(30)31/h2-13H,15H2,1H3,(H,28,29)(H,30,31)/b18-12+InChIKey
XJNSVGSKERYPTN-LDADJPATSA-NSynonyms
444769-89-52(((2E)2CYANO3(4((4FLUOROBENZYL)OXY)3METHOXYPHENYL)PROP2ENOYL)AMINO)BENZOICACID
2(((E)2CYANO3(4((4FLUOROPHENYL)METHOXY)3METHOXYPHENYL)PROP2ENOYL)AMINO)BENZOICACID
444769895
COC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC=CC=C2C(=O)O)OCC3=CC=C(C=C3)F
InChI=1SC25H19FN2O5c132231317(81122(23)3315166919(26)10716)1218(1427)24(29)2821532420(21)25(30)31h213H15H21H3(H2829)(H3031)b1812+
MFCD02373901
N#CC(=Cc1ccc(c(c1)OC)OCc1ccc(cc1)F)C(=O)Nc1ccccc1C(=O)O
STK071382
ZINC000002774376
ZINC2774376
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