Vitas-M small molecule compound
N'-[(E)-{3-chloro-4-[(2-ethynylbenzyl)oxy]-5-methoxyphenyl}methylidene]-1-benzofuran-2-carbohydrazide
Catalog ID
STK197039
SMILES COc1cc(/C=N/NC(=O)c2cc3c(o2)cccc3)cc(c1OCc1ccccc1C#C)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 C26H19ClN2O4 MW 458.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H19ClN2O4/c1-3-18-8-4-5-10-20(18)16-32-25-21(27)12-17(13-23(25)31-2)15-28-29-26(30)24-14-19-9-6-7-11-22(19)33-24/h1,4-15H,16H2,2H3,(H,29,30)/b28-15+InChIKey
LUJKLJCDWOXBQY-RWPZCVJISA-NSynonyms
COC1=C(C(=CC(=C1)C=NNC(=O)C2=CC3=CC=CC=C3O2)Cl)OCC4=CC=CC=C4C#C
COc1cc(C=NNC(=O)c2cc3c(o2)cccc3)cc(c1OCc1ccccc1C#C)Cl
InChI=1SC26H19ClN2O4c13188451020(18)16322521(27)1217(1323(25)312)15282926(30)2414199671122(19)3324h1415H16H22H3(H2930)b2815+
MFCD06666508
N((E)(3CHLORO4((2ETHYNYLBENZYL)OXY)5METHOXYPHENYL)METHYLIDENE)1BENZOFURAN2CARBOHYDRAZIDE
N((E)(3chloro4((2ethynylphenyl)methoxy)5methoxyphenyl)methylideneamino)1benzofuran2carboxamide
ZINC000012363677
ZINC100302687
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