Vitas-M small molecule compound
4-[(1Z)-2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl]-2-ethoxyphenyl 4-fluorobenzoate
Catalog ID
STK116011
SMILES CCOc1cc(ccc1OC(=O)c1ccc(cc1)F)/C=C(\C(=O)OCC)/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 C21H18FNO5 MW 383.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18FNO5/c1-3-26-19-12-14(11-16(13-23)20(24)27-4-2)5-10-18(19)28-21(25)15-6-8-17(22)9-7-15/h5-12H,3-4H2,1-2H3/b16-11-InChIKey
BTXBYCOMSUJEDJ-WJDWOHSUSA-NSynonyms
(4((Z)2CYANO3ETHOXY3OXOPROP1ENYL)2ETHOXYPHENYL)4FLUOROBENZOATE
4((1Z)2CYANO3ETHOXY3OXOPROP1EN1YL)2ETHOXYPHENYL4FLUOROBENZOATE
CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)OCC)OC(=O)C2=CC=C(C=C2)F
CCOc1cc(ccc1OC(=O)c1ccc(cc1)F)C=C(C(=O)OCC)C#N
InChI=1SC21H18FNO5c1326191214(1116(1323)20(24)2742)51018(19)2821(25)156817(22)9715h512H34H212H3b1611
MFCD04515035
ZINC000004690699
ZINC04690699
ZINC4690699
Check stock
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