Vitas-M small molecule compound

(4Z)-4-{1-[(2-chlorobenzyl)amino]ethylidene}-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one

Catalog ID
STK261938
SMILES C/C(=C/1\C(=NN(C1=O)c1ccc(cc1)[N+](=O)[O-])C)/NCc1ccccc1Cl

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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 C19H17ClN4O3 MW 384.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17ClN4O3/c1-12(21-11-14-5-3-4-6-17(14)20)18-13(2)22-23(19(18)25)15-7-9-16(10-8-15)24(26)27/h3-10,21H,11H2,1-2H3/b18-12-
InChIKey
LORFVEALJDWUGT-PDGQHHTCSA-N
Synonyms

(4Z)4(1((2chlorobenzyl)amino)ethylidene)5methyl2(4nitrophenyl)24dihydro3Hpyrazol3one
(4Z)4(1((2chlorophenyl)methylamino)ethylidene)5methyl2(4nitrophenyl)pyrazol3one
CC(=C1C(=NN(C1=O)c1ccc(cc1)(N+)(=O)(O))C)NCc1ccccc1Cl
CC1=NN(C(=O)C1=C(C)NCC2=CC=CC=C2Cl)C3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC19H17ClN4O3c112(211114534617(14)20)1813(2)2223(19(18)25)157916(10815)24(26)27h31021H11H212H3b1812
MFCD07596616
ZINC000013856399
ZINC13856399

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Available files

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