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Vitas-M small molecule compound

methyl 2-{[(2E)-2-cyano-3-{3-ethoxy-4-[(4-fluorobenzyl)oxy]phenyl}prop-2-enoyl]amino}benzoate

Catalog ID
STK522824
SMILES CCOc1cc(ccc1OCc1ccc(cc1)F)/C=C(/C(=O)Nc1ccccc1C(=O)OC)\C#N

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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 C27H23FN2O5 MW 474.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23FN2O5/c1-3-34-25-15-19(10-13-24(25)35-17-18-8-11-21(28)12-9-18)14-20(16-29)26(31)30-23-7-5-4-6-22(23)27(32)33-2/h4-15H,3,17H2,1-2H3,(H,30,31)/b20-14+
InChIKey
PBEUKCHGKDPLTC-XSFVSMFZSA-N
Synonyms
CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC=CC=C2C(=O)OC)OCC3=CC=C(C=C3)F
CCOc1cc(ccc1OCc1ccc(cc1)F)C=C(C(=O)Nc1ccccc1C(=O)OC)C#N
methyl2(((2E)2cyano3(3ethoxy4((4fluorobenzyl)oxy)phenyl)prop2enoyl)amino)benzoate
METHYL2(((E)2CYANO3(3ETHOXY4((4FLUOROPHENYL)METHOXY)PHENYL)PROP2ENOYL)AMINO)BENZOATE
Registry IDs
MFCD03155156
ZINC000012585953
ZINC12585953

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.

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