Vitas-M small molecule compound
2-({4-[(E)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-2-ethoxyphenoxy}methyl)benzonitrile
Catalog ID
STL418612
SMILES CCOc1cc(ccc1OCc1ccccc1C#N)/C=C/1\C(=O)NN(C1=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 C26H21N3O4 MW 439.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21N3O4/c1-2-32-24-15-18(12-13-23(24)33-17-20-9-7-6-8-19(20)16-27)14-22-25(30)28-29(26(22)31)21-10-4-3-5-11-21/h3-15H,2,17H2,1H3,(H,28,30)/b22-14+InChIKey
FLTLRSVRHUSDDN-HYARGMPZSA-NSynonyms
2((2ETHOXY4((3HYDROXY5OXO1PHENYL(12DIAZOLIN4YLIDENE))METHYL)PHENOXY)METHYL)BENZENECARBONITRILE
2((4((35DIOXO1PHENYL4PYRAZOLIDINYLIDENE)METHYL)2ETHOXYPHENOXY)METHYL)BENZONITRILE
2((4((E)(35dioxo1phenylpyrazolidin4ylidene)methyl)2ethoxyphenoxy)methyl)benzonitrile
CCOC1=C(C=CC(=C1)C=C2C(=O)NN(C2=O)C3=CC=CC=C3)OCC4=CC=CC=C4C#N
CCOc1cc(ccc1OCc1ccccc1C#N)C=C1C(=O)NN(C1=O)c1ccccc1
InChI=1SC26H21N3O4c1232241518(121323(24)331720976819(20)1627)142225(30)2829(26(22)31)21104351121h315H217H21H3(H2830)b2214+
MFCD02109662
ZINC16689229
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