Vitas-M small molecule compound
N-{2-[(1,3-benzodioxol-5-ylcarbonyl)amino]ethyl}-3-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
Catalog ID
STK784559
SMILES O=C(c1onc(n1)Cn1nc(cc1C)[N+](=O)[O-])NCCNC(=O)c1ccc2c(c1)OCO2
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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 C18H17N7O7 MW 443.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17N7O7/c1-10-6-15(25(28)29)22-24(10)8-14-21-18(32-23-14)17(27)20-5-4-19-16(26)11-2-3-12-13(7-11)31-9-30-12/h2-3,6-7H,4-5,8-9H2,1H3,(H,19,26)(H,20,27)InChIKey
SDHMRESUEMOCMB-UHFFFAOYSA-NSynonyms
CC1=CC(=NN1CC2=NOC(=N2)C(=O)NCCNC(=O)C3=CC4=C(C=C3)OCO4)(N+)(=O)(O)
InChI=1SC18H17N7O7c110615(25(28)29)2224(10)8142118(322314)17(27)20541916(26)11231213(711)3193012h2367H4589H21H3(H1926)(H2027)
MFCD07022558
N(2((13benzodioxol5ylcarbonyl)amino)ethyl)3((5methyl3nitro1Hpyrazol1yl)methyl)124oxadiazole5carboxamide
N(2(13BENZODIOXOLE5CARBONYLAMINO)ETHYL)3((5METHYL3NITROPYRAZOL1YL)METHYL)124OXADIAZOLE5CARBOXAMIDE
O=C(c1onc(n1)Cn1nc(cc1C)(N+)(=O)(O))NCCNC(=O)c1ccc2c(c1)OCO2
ZINC000012446640
ZINC12446640
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