Vitas-M small molecule compound

methyl [(4Z)-5-oxo-1-phenyl-4-{1-[(pyridin-3-ylmethyl)amino]ethylidene}-4,5-dihydro-1H-pyrazol-3-yl]acetate

Catalog ID
STK207110
SMILES COC(=O)CC1=NN(C(=O)/C/1=C(\NCc1cccnc1)/C)c1ccccc1

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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 C20H20N4O3 MW 364.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O3/c1-14(22-13-15-7-6-10-21-12-15)19-17(11-18(25)27-2)23-24(20(19)26)16-8-4-3-5-9-16/h3-10,12,22H,11,13H2,1-2H3/b19-14-
InChIKey
XMPXXCUXWFOKQB-RGEXLXHISA-N
Synonyms

(Z)methyl2(5oxo1phenyl4(1((pyridin3ylmethyl)amino)ethylidene)45dihydro1Hpyrazol3yl)acetate
CC(=C1C(=NN(C1=O)C2=CC=CC=C2)CC(=O)OC)NCC3=CN=CC=C3
COC(=O)CC1=NN(C(=O)C1=C(NCc1cccnc1)C)c1ccccc1
InChI=1SC20H20N4O3c114(2213157610211215)1917(1118(25)272)2324(20(19)26)168435916h3101222H1113H212H3b1914
methyl((4Z)5oxo1phenyl4(1((pyridin3ylmethyl)amino)ethylidene)45dihydro1Hpyrazol3yl)acetate
METHYL2((4Z)5OXO1PHENYL4(1(PYRIDIN3YLMETHYLAMINO)ETHYLIDENE)PYRAZOL3YL)ACETATE
METHYL2(5OXO1PHENYL4(((3PYRIDYLMETHYL)AMINO)ETHYLIDENE)12DIAZOLIN3YL)ACETATE
MFCD06191781
ZINC000004741357
ZINC04741357
ZINC4741357

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Available files

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