Vitas-M small molecule compound
(2E)-3-{3-chloro-5-methoxy-4-[(4-nitrobenzyl)oxy]phenyl}-2-cyano-N-phenylprop-2-enamide
Catalog ID
STL388483
SMILES N#C/C(=C\c1cc(Cl)c(c(c1)OC)OCc1ccc(cc1)[N+](=O)[O-])/C(=O)Nc1ccccc1
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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 C24H18ClN3O5 MW 463.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H18ClN3O5/c1-32-22-13-17(11-18(14-26)24(29)27-19-5-3-2-4-6-19)12-21(25)23(22)33-15-16-7-9-20(10-8-16)28(30)31/h2-13H,15H2,1H3,(H,27,29)/b18-11+InChIKey
PDWWYKIJTIKKGW-WOJGMQOQSA-NSynonyms
(2E)3(3chloro5methoxy4((4nitrobenzyl)oxy)phenyl)2cyanoNphenylprop2enamide
(E)3(3CHLORO5METHOXY4((4NITROPHENYL)METHOXY)PHENYL)2CYANONPHENYLPROP2ENAMIDE
COC1=C(C(=CC(=C1)C=C(C#N)C(=O)NC2=CC=CC=C2)Cl)OCC3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC24H18ClN3O5c132221317(1118(1426)24(29)27195324619)1221(25)23(22)3315167920(10816)28(30)31h213H15H21H3(H2729)b1811+
MFCD06615360
N#CC(=Cc1cc(Cl)c(c(c1)OC)OCc1ccc(cc1)(N+)(=O)(O))C(=O)Nc1ccccc1
ZINC000033337507
ZINC33337507
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