Vitas-M small molecule compound
(2Z)-3-{3-[(5-fluoro-2-nitrophenoxy)methyl]-4-methoxyphenyl}-2-(phenylsulfonyl)prop-2-enenitrile
Catalog ID
STK482092
SMILES N#C/C(=C/c1ccc(c(c1)COc1cc(F)ccc1[N+](=O)[O-])OC)/S(=O)(=O)c1ccccc1
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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 C23H17FN2O6S MW 468.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17FN2O6S/c1-31-22-10-7-16(12-20(14-25)33(29,30)19-5-3-2-4-6-19)11-17(22)15-32-23-13-18(24)8-9-21(23)26(27)28/h2-13H,15H2,1H3/b20-12-InChIKey
VRLILUJQWARTQD-NDENLUEZSA-NSynonyms
(2Z)3(3((5fluoro2nitrophenoxy)methyl)4methoxyphenyl)2(phenylsulfonyl)prop2enenitrile
(Z)2(benzenesulfonyl)3(3((5fluoro2nitrophenoxy)methyl)4methoxyphenyl)prop2enenitrile
COC1=C(C=C(C=C1)C=C(C#N)S(=O)(=O)C2=CC=CC=C2)COC3=C(C=CC(=C3)F)(N+)(=O)(O)
InChI=1SC23H17FN2O6Sc1312210716(1220(1425)33(2930)195324619)1117(22)1532231318(24)8921(23)26(27)28h213H15H21H3b2012
MFCD07075530
N#CC(=Cc1ccc(c(c1)COc1cc(F)ccc1(N+)(=O)(O))OC)S(=O)(=O)c1ccccc1
ZINC000032577830
ZINC32577830
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