Vitas-M small molecule compound
3-(1,3-benzodioxol-5-yl)-5-[1-(4-methylbenzyl)-3-nitro-1H-pyrazol-5-yl]-1,2,4-oxadiazole
Catalog ID
STK786207
SMILES Cc1ccc(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 C20H15N5O5 MW 405.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15N5O5/c1-12-2-4-13(5-3-12)10-24-15(9-18(22-24)25(26)27)20-21-19(23-30-20)14-6-7-16-17(8-14)29-11-28-16/h2-9H,10-11H2,1H3InChIKey
YRTBKSCQHRIMJU-UHFFFAOYSA-NSynonyms
3(13benzodioxol5yl)5(1(4methylbenzyl)3nitro1Hpyrazol5yl)124oxadiazole
3(13BENZODIOXOL5YL)5(2((4METHYLPHENYL)METHYL)5NITROPYRAZOL3YL)124OXADIAZOLE
CC1=CC=C(C=C1)CN2C(=CC(=N2)(N+)(=O)(O))C3=NC(=NO3)C4=CC5=C(C=C4)OCO5
Cc1ccc(cc1)Cn1nc(cc1c1onc(n1)c1ccc2c(c1)OCO2)(N+)(=O)(O)
InChI=1SC20H15N5O5c1122413(5312)102415(918(2224)25(26)27)202119(233020)14671617(814)29112816h29H1011H21H3
MFCD08142895
ZINC000006668637
ZINC06668637
ZINC6668637
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