Vitas-M small molecule compound
3-(1,3-benzodioxol-5-yl)-5-[1-(4-fluorobenzyl)-3-nitro-1H-pyrazol-5-yl]-1,2,4-oxadiazole
Catalog ID
STK786371
SMILES Fc1ccc(cc1)Cn1nc(cc1c1onc(n1)c1ccc2c(c1)OCO2)[N+](=O)[O-]
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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 C19H12FN5O5 MW 409.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H12FN5O5/c20-13-4-1-11(2-5-13)9-24-14(8-17(22-24)25(26)27)19-21-18(23-30-19)12-3-6-15-16(7-12)29-10-28-15/h1-8H,9-10H2InChIKey
WNCAHQNMIZCQGQ-UHFFFAOYSA-NSynonyms
3(13benzodioxol5yl)5(1(4fluorobenzyl)3nitro1Hpyrazol5yl)124oxadiazole
3(13benzodioxol5yl)5(2((4fluorophenyl)methyl)5nitropyrazol3yl)124oxadiazole
C1OC2=C(O1)C=C(C=C2)C3=NOC(=N3)C4=CC(=NN4CC5=CC=C(C=C5)F)(N+)(=O)(O)
Fc1ccc(cc1)Cn1nc(cc1c1onc(n1)c1ccc2c(c1)OCO2)(N+)(=O)(O)
InChI=1SC19H12FN5O5c20134111(2513)92414(817(2224)25(26)27)192118(233019)12361516(712)29102815h18H910H2
MFCD08532327
ZINC000012374480
ZINC12374480
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