Vitas-M small molecule compound

N-{3-[(1E)-1-{2-[(4-bromo-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]hydrazinylidene}ethyl]phenyl}-2-fluorobenzamide

Catalog ID
STK452837
SMILES C/C(=N\NC(=O)c1n(C)nc(c1Br)C)/c1cccc(c1)NC(=O)c1ccccc1F

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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 C21H19BrFN5O2 MW 472.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19BrFN5O2/c1-12(25-26-21(30)19-18(22)13(2)27-28(19)3)14-7-6-8-15(11-14)24-20(29)16-9-4-5-10-17(16)23/h4-11H,1-3H3,(H,24,29)(H,26,30)/b25-12+
InChIKey
ZOSLVSMAAZDAIV-BRJLIKDPSA-N
Synonyms

4BROMON((E)1(3((2FLUOROBENZOYL)AMINO)PHENYL)ETHYLIDENEAMINO)25DIMETHYLPYRAZOLE3CARBOXAMIDE
CC(=NNC(=O)c1n(C)nc(c1Br)C)c1cccc(c1)NC(=O)c1ccccc1F
CC1=NN(C(=C1Br)C(=O)NN=C(C)C2=CC(=CC=C2)NC(=O)C3=CC=CC=C3F)C
InChI=1SC21H19BrFN5O2c112(252621(30)1918(22)13(2)2728(19)3)1476815(1114)2420(29)169451017(16)23h411H13H3(H2429)(H2630)b2512+
MFCD02607087
N((1E)2(3((2FLUOROPHENYL)CARBONYLAMINO)PHENYL)1AZAPROP1ENYL)(4BROMO13DIMETHYLPYRAZOL5YL)CARBOXAMIDE
N(3((1E)1(2((4bromo13dimethyl1Hpyrazol5yl)carbonyl)hydrazinylidene)ethyl)phenyl)2fluorobenzamide
N(3(N((4BROMO13DIMETHYL1HPYRAZOL5YL)CARBONYL)ETHANEHYDRAZONOYL)PHENYL)2FLUOROBENZAMIDE
ZINC000000685884
ZINC13108508

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Available files

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