Vitas-M small molecule compound
ethyl 4-{3-[(E)-{2-[(4-cyano-2-fluorophenyl)carbonyl]hydrazinylidene}methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoate
Catalog ID
STK076943
SMILES CCOC(=O)c1ccc(cc1)n1c(C)cc(c1C)/C=N/NC(=O)c1ccc(cc1F)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 C24H21FN4O3 MW 432.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21FN4O3/c1-4-32-24(31)18-6-8-20(9-7-18)29-15(2)11-19(16(29)3)14-27-28-23(30)21-10-5-17(13-26)12-22(21)25/h5-12,14H,4H2,1-3H3,(H,28,30)/b27-14+InChIKey
LRDMLHCUIGHZCR-MZJWZYIUSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)N2C(=CC(=C2C)C=NNC(=O)C3=C(C=C(C=C3)C#N)F)C
CCOC(=O)c1ccc(cc1)n1c(C)cc(c1C)C=NNC(=O)c1ccc(cc1F)C#N
ethyl4(3((E)((4cyano2fluorobenzoyl)hydrazinylidene)methyl)25dimethylpyrrol1yl)benzoate
ETHYL4(3((E)(2((4CYANO2FLUOROPHENYL)CARBONYL)HYDRAZINYLIDENE)METHYL)25DIMETHYL1HPYRROL1YL)BENZOATE
InChI=1SC24H21FN4O3c143224(31)186820(9718)2915(2)1119(16(29)3)14272823(30)2110517(1326)1222(21)25h51214H4H213H3(H2830)b2714+
MFCD03247034
STK076943
ZINC000009261868
ZINC34888755
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