Vitas-M small molecule compound
[(1-benzyl-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)(4-nitrophenyl)methyl]propanedinitrile
Catalog ID
STK002445
SMILES N#CC(C(C1C(=NN(C1=O)Cc1ccccc1)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 C21H17N5O3 MW 387.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N5O3/c1-14-19(21(27)25(24-14)13-15-5-3-2-4-6-15)20(17(11-22)12-23)16-7-9-18(10-8-16)26(28)29/h2-10,17,19-20H,13H2,1H3InChIKey
WLKNWVQEAWYUDX-UHFFFAOYSA-NSynonyms
334500-96-8((1BENZYL3METHYL5OXO45DIHYDRO1HPYRAZOL4YL)(4NITROPHENYL)METHYL)PROPANEDINITRILE
2((1BENZYL3METHYL5OXO4HPYRAZOL4YL)(4NITROPHENYL)METHYL)PROPANEDINITRILE
334500968
CC1=NN(C(=O)C1C(C2=CC=C(C=C2)(N+)(=O)(O))C(C#N)C#N)CC3=CC=CC=C3
InChI=1SC21H17N5O3c11419(21(27)25(2414)13155324615)20(17(1122)1223)167918(10816)26(28)29h210171920H13H21H3
MFCD01816937
N#CC(C(C1C(=NN(C1=O)Cc1ccccc1)C)c1ccc(cc1)(N+)(=O)(O))C#N
STK002445
ZINC000000848859
ZINC000100616528
Check stock
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