Vitas-M small molecule compound
[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)(4-nitrophenyl)methyl]propanedinitrile
Catalog ID
STK015408
SMILES N#CC(C(C1C(=NN(C1=O)c1ccccc1)C)c1ccc(cc1)[N+](=O)[O-])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 C20H15N5O3 MW 373.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15N5O3/c1-13-18(20(26)24(23-13)16-5-3-2-4-6-16)19(15(11-21)12-22)14-7-9-17(10-8-14)25(27)28/h2-10,15,18-19H,1H3InChIKey
RITXGICQKPODOR-UHFFFAOYSA-NSynonyms
318259-31-3((3METHYL5OXO1PHENYL45DIHYDRO1HPYRAZOL4YL)(4NITROPHENYL)METHYL)PROPANEDINITRILE
2((3methyl5oxo1phenyl45dihydro1Hpyrazol4yl)(4nitrophenyl)methyl)malononitrile
2((3METHYL5OXO1PHENYL4HPYRAZOL4YL)(4NITROPHENYL)METHYL)PROPANEDINITRILE
318259313
CC1=NN(C(=O)C1C(C2=CC=C(C=C2)(N+)(=O)(O))C(C#N)C#N)C3=CC=CC=C3
InChI=1SC20H15N5O3c11318(20(26)24(2313)165324616)19(15(1121)1222)147917(10814)25(27)28h210151819H1H3
MFCD00747061
N#CC(C(C1C(=NN(C1=O)c1ccccc1)C)c1ccc(cc1)(N+)(=O)(O))C#N
STK015408
ZINC000000837265
ZINC000095101420
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