Vitas-M small molecule compound

4-{[(2E)-2-cyano-3-(4-{[(3-fluorophenyl)carbonyl]oxy}-3-methoxyphenyl)prop-2-enoyl]amino}benzoic acid

Catalog ID
STK079732
SMILES N#C/C(=C\c1ccc(c(c1)OC)OC(=O)c1cccc(c1)F)/C(=O)Nc1ccc(cc1)C(=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 C25H17FN2O6 MW 460.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H17FN2O6/c1-33-22-12-15(5-10-21(22)34-25(32)17-3-2-4-19(26)13-17)11-18(14-27)23(29)28-20-8-6-16(7-9-20)24(30)31/h2-13H,1H3,(H,28,29)(H,30,31)/b18-11+
InChIKey
IVCPJTAKMOQIQM-WOJGMQOQSA-N
Synonyms
364611-84-7
364611847
4(((2E)2CYANO3(4(((3FLUOROPHENYL)CARBONYL)OXY)3METHOXYPHENYL)PROP2ENOYL)AMINO)BENZOICACID
4(((E)2CYANO3(4((3FLUOROPHENYL)OXOMETHOXY)3METHOXYPHENYL)1OXOPROP2ENYL)AMINO)BENZOICACID
4(((E)2CYANO3(4(3FLUOROBENZOYL)OXY3METHOXYPHENYL)ACRYLOYL)AMINO)BENZOICACID
4(((E)2CYANO3(4(3FLUOROBENZOYL)OXY3METHOXYPHENYL)PROP2ENOYL)AMINO)BENZOICACID
4(((E)2CYANO3(4(3FLUOROPHENYL)CARBONYLOXY3METHOXYPHENYL)PROP2ENOYL)AMINO)BENZOICACID
COC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC=C(C=C2)C(=O)O)OC(=O)C3=CC(=CC=C3)F
InChI=1SC25H17FN2O6c133221215(51021(22)3425(32)1732419(26)1317)1118(1427)23(29)28208616(7920)24(30)31h213H1H3(H2829)(H3031)b1811+
MFCD02605377
N#CC(=Cc1ccc(c(c1)OC)OC(=O)c1cccc(c1)F)C(=O)Nc1ccc(cc1)C(=O)O
STK079732
ZINC000013123262
ZINC13123262

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Available files

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