Vitas-M small molecule compound
(2Z)-2-{[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-5-methoxy-3-oxopentanenitrile
Catalog ID
STK447497
SMILES COCCC(=O)/C(=C\c1cn(nc1c1ccc(cc1)Cl)c1ccccc1)/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 C22H18ClN3O2 MW 391.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18ClN3O2/c1-28-12-11-21(27)17(14-24)13-18-15-26(20-5-3-2-4-6-20)25-22(18)16-7-9-19(23)10-8-16/h2-10,13,15H,11-12H2,1H3/b17-13-InChIKey
ICDYRTUJWKFHGS-LGMDPLHJSA-NSynonyms
(2Z)2((3(4chlorophenyl)1phenyl1Hpyrazol4yl)methylidene)5methoxy3oxopentanenitrile
(2Z)2((3(4chlorophenyl)1phenylpyrazol4yl)methylidene)5methoxy3oxopentanenitrile
(2Z)3(3(4CHLOROPHENYL)1PHENYLPYRAZOL4YL)2(3METHOXYPROPANOYL)PROP2ENENITRILE
COCCC(=O)C(=CC1=CN(N=C1C2=CC=C(C=C2)Cl)C3=CC=CC=C3)C#N
COCCC(=O)C(=Cc1cn(nc1c1ccc(cc1)Cl)c1ccccc1)C#N
InChI=1SC22H18ClN3O2c128121121(27)17(1424)13181526(205324620)2522(18)167919(23)10816h2101315H1112H21H3b1713
MFCD04059864
ZINC000006490500
ZINC06490500
ZINC6490500
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