Vitas-M small molecule compound
3-(1,3-benzodioxol-5-yl)-5-[3-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)propyl]-1,2,4-oxadiazole
Catalog ID
STK783367
SMILES [O-][N+](=O)c1c(C)nn(c1C)CCCc1onc(n1)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 C17H17N5O5 MW 371.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17N5O5/c1-10-16(22(23)24)11(2)21(19-10)7-3-4-15-18-17(20-27-15)12-5-6-13-14(8-12)26-9-25-13/h5-6,8H,3-4,7,9H2,1-2H3InChIKey
CVBPLDIEHWWRQK-UHFFFAOYSA-NSynonyms
(O)(N+)(=O)c1c(C)nn(c1C)CCCc1onc(n1)c1ccc2c(c1)OCO2
3(13benzodioxol5yl)5(3(35dimethyl4nitro1Hpyrazol1yl)propyl)124oxadiazole
3(13BENZODIOXOL5YL)5(3(35DIMETHYL4NITROPYRAZOL1YL)PROPYL)124OXADIAZOLE
CC1=C(C(=NN1CCCC2=NC(=NO2)C3=CC4=C(C=C3)OCO4)C)(N+)(=O)(O)
InChI=1SC17H17N5O5c11016(22(23)24)11(2)21(1910)734151817(202715)12561314(812)2692513h568H3479H212H3
MFCD06618113
ZINC000004745631
ZINC04745631
ZINC4745631
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