Vitas-M small molecule compound
(2E)-2-cyano-3-[3-(4-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]-N-(pyridin-3-ylmethyl)prop-2-enamide
Catalog ID
STK701671
SMILES N#C/C(=C\c1cn(nc1c1ccc(cc1)[N+](=O)[O-])c1ccccc1)/C(=O)NCc1cccnc1
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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 C25H18N6O3 MW 450.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18N6O3/c26-14-20(25(32)28-16-18-5-4-12-27-15-18)13-21-17-30(22-6-2-1-3-7-22)29-24(21)19-8-10-23(11-9-19)31(33)34/h1-13,15,17H,16H2,(H,28,32)/b20-13+InChIKey
JWHOZQMOCMTIRJ-DEDYPNTBSA-NSynonyms
956691-10-4(2E)2cyano3(3(4nitrophenyl)1phenyl1Hpyrazol4yl)N(pyridin3ylmethyl)prop2enamide
(E)2CYANO3(3(4NITROPHENYL)1PHENYLPYRAZOL4YL)N(PYRIDIN3YLMETHYL)PROP2ENAMIDE
956691104
C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)(N+)(=O)(O))C=C(C#N)C(=O)NCC4=CN=CC=C4
InChI=1SC25H18N6O3c261420(25(32)2816185412271518)13211730(226213722)2924(21)1981023(11919)31(33)34h1131517H16H2(H2832)b2013+
MFCD03461579
N#CC(=Cc1cn(nc1c1ccc(cc1)(N+)(=O)(O))c1ccccc1)C(=O)NCc1cccnc1
ZINC000016791012
ZINC16791012
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