Vitas-M small molecule compound
[(1-benzyl-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)(2-chlorophenyl)methyl]propanedinitrile
Catalog ID
STK094860
SMILES N#CC(C(c1ccccc1Cl)C1C(=NN(C1=O)Cc1ccccc1)C)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 C21H17ClN4O MW 376.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17ClN4O/c1-14-19(21(27)26(25-14)13-15-7-3-2-4-8-15)20(16(11-23)12-24)17-9-5-6-10-18(17)22/h2-10,16,19-20H,13H2,1H3InChIKey
XBNBQHZZJCMRHC-UHFFFAOYSA-NSynonyms
334500-95-7((1BENZYL3METHYL5OXO45DIHYDRO1HPYRAZOL4YL)(2CHLOROPHENYL)METHYL)PROPANEDINITRILE
2((1BENZYL3METHYL5OXO4HPYRAZOL4YL)(2CHLOROPHENYL)METHYL)PROPANEDINITRILE
334500957
CC1=NN(C(=O)C1C(C2=CC=CC=C2Cl)C(C#N)C#N)CC3=CC=CC=C3
InChI=1SC21H17ClN4Oc11419(21(27)26(2514)13157324815)20(16(1123)1224)179561018(17)22h210161920H13H21H3
MFCD01816935
N#CC(C(c1ccccc1Cl)C1C(=NN(C1=O)Cc1ccccc1)C)C#N
STK094860
ZINC000018143070
ZINC000101497128
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