Vitas-M small molecule compound
(2Z)-2-cyano-N-(3-methoxypropyl)-3-[3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enamide
Catalog ID
STK809702
SMILES COCCCNC(=O)/C(=C\c1cn(nc1c1cccc(c1)[N+](=O)[O-])c1ccccc1)/C#N
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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 C23H21N5O4 MW 431.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N5O4/c1-32-12-6-11-25-23(29)18(15-24)13-19-16-27(20-8-3-2-4-9-20)26-22(19)17-7-5-10-21(14-17)28(30)31/h2-5,7-10,13-14,16H,6,11-12H2,1H3,(H,25,29)/b18-13-InChIKey
KMSCAPYOIJLTNC-AQTBWJFISA-NSynonyms
(2Z)2cyanoN(3methoxypropyl)3(3(3nitrophenyl)1phenyl1Hpyrazol4yl)prop2enamide
(Z)2cyanoN(3methoxypropyl)3(3(3nitrophenyl)1phenylpyrazol4yl)prop2enamide
COCCCNC(=O)C(=CC1=CN(N=C1C2=CC(=CC=C2)(N+)(=O)(O))C3=CC=CC=C3)C#N
COCCCNC(=O)C(=Cc1cn(nc1c1cccc(c1)(N+)(=O)(O))c1ccccc1)C#N
InChI=1SC23H21N5O4c132126112523(29)18(1524)13191627(208324920)2622(19)17751021(1417)28(30)31h25710131416H61112H21H3(H2529)b1813
MFCD03461452
ZINC000016790921
ZINC16790921
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