Vitas-M small molecule compound
(2E)-2-{4-[(2-chloro-6-fluorobenzyl)oxy]-3-methoxybenzylidene}-4,4-dimethyl-3-oxopentanenitrile
Catalog ID
STK136605
SMILES N#C/C(=C\c1ccc(c(c1)OC)OCc1c(F)cccc1Cl)/C(=O)C(C)(C)C
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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 C22H21ClFNO3 MW 401.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21ClFNO3/c1-22(2,3)21(26)15(12-25)10-14-8-9-19(20(11-14)27-4)28-13-16-17(23)6-5-7-18(16)24/h5-11H,13H2,1-4H3/b15-10+InChIKey
RXHZVOFVURFLSI-XNTDXEJSSA-NSynonyms
(2E)2((4((2CHLORO6FLUOROPHENYL)METHOXY)3METHOXYPHENYL)METHYLIDENE)44DIMETHYL3OXOPENTANENITRILE
(2E)2(4((2CHLORO6FLUOROBENZYL)OXY)3METHOXYBENZYLIDENE)44DIMETHYL3OXOPENTANENITRILE
CC(C)(C)C(=O)C(=CC1=CC(=C(C=C1)OCC2=C(C=CC=C2Cl)F)OC)C#N
InChI=1SC22H21ClFNO3c122(23)21(26)15(1225)10148919(20(1114)274)28131617(23)65718(16)24h511H13H214H3b1510+
MFCD04511163
N#CC(=Cc1ccc(c(c1)OC)OCc1c(F)cccc1Cl)C(=O)C(C)(C)C
ZINC000004681261
ZINC04681261
ZINC4681261
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