Vitas-M small molecule compound
5-(4-ethylphenyl)-1-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Catalog ID
STL124810
SMILES CCc1ccc(cc1)N1C(=O)C2C(C1=O)N=NN2Cc1onc(n1)c1ccc(cc1)C
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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 C22H20N6O3 MW 416.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N6O3/c1-3-14-6-10-16(11-7-14)28-21(29)18-19(22(28)30)27(26-24-18)12-17-23-20(25-31-17)15-8-4-13(2)5-9-15/h4-11,18-19H,3,12H2,1-2H3InChIKey
HXQROEYSWXQPRW-UHFFFAOYSA-NSynonyms
5(4ethylphenyl)1((3(4methylphenyl)124oxadiazol5yl)methyl)3a6adihydropyrrolo(34d)(123)triazole46(1H5H)dione
5(4ethylphenyl)3((3(4methylphenyl)124oxadiazol5yl)methyl)3a6adihydropyrrolo(34d)triazole46dione
CCC1=CC=C(C=C1)N2C(=O)C3C(C2=O)N(N=N3)CC4=NC(=NO4)C5=CC=C(C=C5)C
InChI=1SC22H20N6O3c131461016(11714)2821(29)1819(22(28)30)27(262418)12172320(253117)158413(2)5915h4111819H312H212H3
MFCD20735712
ZINC000064557685
ZINC000101274992
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