Vitas-M small molecule compound
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzamide
Catalog ID
STK308157
SMILES O=C(c1ccccc1Cn1nc(c(c1C)[N+](=O)[O-])C)Nc1ccc2c(c1)OCCO2
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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 C21H20N4O5 MW 408.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O5/c1-13-20(25(27)28)14(2)24(23-13)12-15-5-3-4-6-17(15)21(26)22-16-7-8-18-19(11-16)30-10-9-29-18/h3-8,11H,9-10,12H2,1-2H3,(H,22,26)InChIKey
RIGYFNIJQYHUAI-UHFFFAOYSA-NSynonyms
1005653-97-31005653973
CC1=C(C(=NN1CC2=CC=CC=C2C(=O)NC3=CC4=C(C=C3)OCCO4)C)(N+)(=O)(O)
InChI=1SC21H20N4O5c11320(25(27)28)14(2)24(2313)1215534617(15)21(26)2216781819(1116)301092918h3811H91012H212H3(H2226)
MFCD04131820
N(23dihydro14benzodioxin6yl)2((35dimethyl4nitro1Hpyrazol1yl)methyl)benzamide
N(23DIHYDRO14BENZODIOXIN6YL)2((35DIMETHYL4NITROPYRAZOL1YL)METHYL)BENZAMIDE
O=C(c1ccccc1Cn1nc(c(c1C)(N+)(=O)(O))C)Nc1ccc2c(c1)OCCO2
ZINC000002795666
ZINC02795666
ZINC2795666
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