Vitas-M small molecule compound
N'-{(E)-[3-bromo-5-ethoxy-4-(prop-2-yn-1-yloxy)phenyl]methylidene}-4-cyano-2-fluorobenzohydrazide
Catalog ID
STK073287
SMILES C#CCOc1c(Br)cc(cc1OCC)/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 C20H15BrFN3O3 MW 444.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15BrFN3O3/c1-3-7-28-19-16(21)8-14(10-18(19)27-4-2)12-24-25-20(26)15-6-5-13(11-23)9-17(15)22/h1,5-6,8-10,12H,4,7H2,2H3,(H,25,26)/b24-12+InChIKey
PGVUPRKRNCLFKB-WYMPLXKRSA-NSynonyms
C#CCOc1c(Br)cc(cc1OCC)C=NNC(=O)c1ccc(cc1F)C#N
CCOC1=C(C(=CC(=C1)C=NNC(=O)C2=C(C=C(C=C2)C#N)F)Br)OCC#C
InChI=1SC20H15BrFN3O3c137281916(21)814(1018(19)2742)12242520(26)156513(1123)917(15)22h15681012H47H22H3(H2526)b2412+
MFCD03242300
N((E)(3BROMO5ETHOXY4(PROP2YN1YLOXY)PHENYL)METHYLIDENE)4CYANO2FLUOROBENZOHYDRAZIDE
N((E)(3bromo5ethoxy4prop2ynoxyphenyl)methylideneamino)4cyano2fluorobenzamide
STK073287
ZINC000009261881
ZINC33459442
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