Vitas-M small molecule compound

methyl {3-[(E)-{2-[(4-cyano-2-fluorophenyl)carbonyl]hydrazinylidene}methyl]-1H-indol-1-yl}acetate

Catalog ID
STK364780
SMILES COC(=O)Cn1cc(c2c1cccc2)/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 C20H15FN4O3 MW 378.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15FN4O3/c1-28-19(26)12-25-11-14(15-4-2-3-5-18(15)25)10-23-24-20(27)16-7-6-13(9-22)8-17(16)21/h2-8,10-11H,12H2,1H3,(H,24,27)/b23-10+
InChIKey
ZWAMMXJTFVMUQE-AUEPDCJTSA-N
Synonyms

COC(=O)CN1C=C(C2=CC=CC=C21)C=NNC(=O)C3=C(C=C(C=C3)C#N)F
COC(=O)Cn1cc(c2c1cccc2)C=NNC(=O)c1ccc(cc1F)C#N
InChI=1SC20H15FN4O3c12819(26)12251114(15423518(15)25)10232420(27)167613(922)817(16)21h281011H12H21H3(H2427)b2310+
METHYL(3((E)(2((4CYANO2FLUOROPHENYL)CARBONYL)HYDRAZINYLIDENE)METHYL)1HINDOL1YL)ACETATE
METHYL(3(2(4CYANO2FLUOROBENZOYL)CARBOHYDRAZONOYL)1HINDOL1YL)ACETATE
METHYL2(3((1E)2((4CYANO2FLUOROPHENYL)CARBONYLAMINO)2AZAVINYL)INDOLYL)ACETATE
methyl2(3((E)((4cyano2fluorobenzoyl)hydrazinylidene)methyl)indol1yl)acetate
MFCD02950830
ZINC000000977455
ZINC33286220

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.