Vitas-M small molecule compound
(2E)-2-cyano-3-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)-N-(4-nitrophenyl)prop-2-enamide
Catalog ID
STK472945
SMILES N#C/C(=C\c1c(C)nn(c1C)c1ccccc1)/C(=O)Nc1ccc(cc1)[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 C21H17N5O3 MW 387.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N5O3/c1-14-20(15(2)25(24-14)18-6-4-3-5-7-18)12-16(13-22)21(27)23-17-8-10-19(11-9-17)26(28)29/h3-12H,1-2H3,(H,23,27)/b16-12+InChIKey
RSLHUTZLYULBFB-FOWTUZBSSA-NSynonyms
(2E)2cyano3(35dimethyl1phenyl1Hpyrazol4yl)N(4nitrophenyl)prop2enamide
(E)2cyano3(35dimethyl1phenylpyrazol4yl)N(4nitrophenyl)prop2enamide
CC1=C(C(=NN1C2=CC=CC=C2)C)C=C(C#N)C(=O)NC3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC21H17N5O3c11420(15(2)25(2414)186435718)1216(1322)21(27)231781019(11917)26(28)29h312H12H3(H2327)b1612+
MFCD07076532
N#CC(=Cc1c(C)nn(c1C)c1ccccc1)C(=O)Nc1ccc(cc1)(N+)(=O)(O)
ZINC000017079063
ZINC17079063
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