Vitas-M small molecule compound
(2E)-3-[1-(2-chlorobenzyl)-3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-2-cyano-N-(2-nitrophenyl)prop-2-enamide
Catalog ID
STK472880
SMILES N#C/C(=C\c1cn(nc1c1ccc(c(c1)OC)OC)Cc1ccccc1Cl)/C(=O)Nc1ccccc1[N+](=O)[O-]
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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 C28H22ClN5O5 MW 543.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22ClN5O5/c1-38-25-12-11-18(14-26(25)39-2)27-21(17-33(32-27)16-19-7-3-4-8-22(19)29)13-20(15-30)28(35)31-23-9-5-6-10-24(23)34(36)37/h3-14,17H,16H2,1-2H3,(H,31,35)/b20-13+InChIKey
YFWDJNIBBMSHMB-DEDYPNTBSA-NSynonyms
(2E)3(1(2chlorobenzyl)3(34dimethoxyphenyl)1Hpyrazol4yl)2cyanoN(2nitrophenyl)prop2enamide
(2E)3(3(34DIMETHOXYPHENYL)1((2CHLOROPHENYL)METHYL)PYRAZOL4YL)2CYANON(2NITROPHENYL)PROP2ENAMIDE
(E)3(1((2chlorophenyl)methyl)3(34dimethoxyphenyl)pyrazol4yl)2cyanoN(2nitrophenyl)prop2enamide
COC1=C(C=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NC3=CC=CC=C3(N+)(=O)(O))CC4=CC=CC=C4Cl)OC
InChI=1SC28H22ClN5O5c13825121118(1426(25)392)2721(1733(3227)1619734822(19)29)1320(1530)28(35)31239561024(23)34(36)37h31417H16H212H3(H3135)b2013+
MFCD07092009
N#CC(=Cc1cn(nc1c1ccc(c(c1)OC)OC)Cc1ccccc1Cl)C(=O)Nc1ccccc1(N+)(=O)(O)
ZINC000102348103
ZINC102348103
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.