Vitas-M small molecule compound
ethyl 2-{3-[(E)-{2-[(4-cyano-2-fluorophenyl)carbonyl]hydrazinylidene}methyl]-2,5-dimethyl-1H-pyrrol-1-yl}-4,5-dimethylthiophene-3-carboxylate
Catalog ID
STK144958
SMILES CCOC(=O)c1c(C)c(sc1n1c(C)cc(c1C)/C=N/NC(=O)c1ccc(cc1F)C#N)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 C24H23FN4O3S MW 466.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H23FN4O3S/c1-6-32-24(31)21-14(3)16(5)33-23(21)29-13(2)9-18(15(29)4)12-27-28-22(30)19-8-7-17(11-26)10-20(19)25/h7-10,12H,6H2,1-5H3,(H,28,30)/b27-12+InChIKey
YSDDMQQIQFVITJ-KKMKTNMSSA-NSynonyms
CCOC(=O)C1=C(SC(=C1C)C)N2C(=CC(=C2C)C=NNC(=O)C3=C(C=C(C=C3)C#N)F)C
CCOC(=O)c1c(C)c(sc1n1c(C)cc(c1C)C=NNC(=O)c1ccc(cc1F)C#N)C
ethyl2(3((E)((4cyano2fluorobenzoyl)hydrazinylidene)methyl)25dimethylpyrrol1yl)45dimethylthiophene3carboxylate
ETHYL2(3((E)(2((4CYANO2FLUOROPHENYL)CARBONYL)HYDRAZINYLIDENE)METHYL)25DIMETHYL1HPYRROL1YL)45DIMETHYLTHIOPHENE3CARBOXYLATE
InChI=1SC24H23FN4O3Sc163224(31)2114(3)16(5)3323(21)2913(2)918(15(29)4)12272822(30)198717(1126)1020(19)25h71012H6H215H3(H2830)b2712+
MFCD03239393
ZINC000013880455
ZINC35393489
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