Vitas-M small molecule compound
(2E)-N-benzyl-2-cyano-3-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}prop-2-enamide
Catalog ID
STK474107
SMILES N#C/C(=C\c1ccc(c(c1)Cn1ncc(c1)[N+](=O)[O-])OC)/C(=O)NCc1ccccc1
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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 C22H19N5O4 MW 417.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N5O4/c1-31-21-8-7-17(10-19(21)14-26-15-20(13-25-26)27(29)30)9-18(11-23)22(28)24-12-16-5-3-2-4-6-16/h2-10,13,15H,12,14H2,1H3,(H,24,28)/b18-9+InChIKey
BTUDKDWMABQVHD-GIJQJNRQSA-NSynonyms
(2E)2CYANO3(4METHOXY3((4NITROPYRAZOLYL)METHYL)PHENYL)NBENZYLPROP2ENAMIDE
(2E)Nbenzyl2cyano3(4methoxy3((4nitro1Hpyrazol1yl)methyl)phenyl)prop2enamide
(E)Nbenzyl2cyano3(4methoxy3((4nitropyrazol1yl)methyl)phenyl)prop2enamide
COC1=C(C=C(C=C1)C=C(C#N)C(=O)NCC2=CC=CC=C2)CN3C=C(C=N3)(N+)(=O)(O)
InChI=1SC22H19N5O4c131218717(1019(21)14261520(132526)27(29)30)918(1123)22(28)2412165324616h2101315H1214H21H3(H2428)b189+
MFCD07089822
N#CC(=Cc1ccc(c(c1)Cn1ncc(c1)(N+)(=O)(O))OC)C(=O)NCc1ccccc1
ZINC000017091024
ZINC17091024
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