Vitas-M small molecule compound
(2E)-3-{3-chloro-5-ethoxy-4-[(2-fluorobenzyl)oxy]phenyl}-2-(3-nitrophenyl)prop-2-enenitrile
Catalog ID
STK201496
SMILES CCOc1cc(/C=C(\c2cccc(c2)[N+](=O)[O-])/C#N)cc(c1OCc1ccccc1F)Cl
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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 C24H18ClFN2O4 MW 452.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H18ClFN2O4/c1-2-31-23-12-16(10-19(14-27)17-7-5-8-20(13-17)28(29)30)11-21(25)24(23)32-15-18-6-3-4-9-22(18)26/h3-13H,2,15H2,1H3/b19-10-InChIKey
QLWYQRIESGTILV-GRSHGNNSSA-NSynonyms
(2E)3(3CHLORO5ETHOXY4((2FLUOROBENZYL)OXY)PHENYL)2(3NITROPHENYL)PROP2ENENITRILE
(E)3(3CHLORO5ETHOXY4((2FLUOROPHENYL)METHOXY)PHENYL)2(3NITROPHENYL)PROP2ENENITRILE
CCOC1=C(C(=CC(=C1)C=C(C#N)C2=CC(=CC=C2)(N+)(=O)(O))Cl)OCC3=CC=CC=C3F
CCOc1cc(C=C(c2cccc(c2)(N+)(=O)(O))C#N)cc(c1OCc1ccccc1F)Cl
InChI=1SC24H18ClFN2O4c1231231216(1019(1427)1775820(1317)28(29)30)1121(25)24(23)321518634922(18)26h313H215H21H3b1910
MFCD05997826
ZINC000012393036
ZINC12393036
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