Vitas-M small molecule compound
1-[2-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)-2-oxoethyl]-5-(2,3,5,6-tetrafluorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Catalog ID
STK302808
SMILES O=C(N1N=C(CC1c1ccccc1)c1ccccc1)CN1N=NC2C1C(=O)N(C2=O)c1c(F)c(F)cc(c1F)F
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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 C27H18F4N6O3 MW 550.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H18F4N6O3/c28-16-11-17(29)22(31)24(21(16)30)36-26(39)23-25(27(36)40)35(34-32-23)13-20(38)37-19(15-9-5-2-6-10-15)12-18(33-37)14-7-3-1-4-8-14/h1-11,19,23,25H,12-13H2InChIKey
GZUCNTPLJFNDCK-UHFFFAOYSA-NSynonyms
1024319-13-81(2(35diphenyl45dihydro1Hpyrazol1yl)2oxoethyl)5(2356tetrafluorophenyl)3a6adihydropyrrolo(34d)(123)triazole46(1H5H)dione
1024319138
3(2(35diphenyl34dihydropyrazol2yl)2oxoethyl)5(2356tetrafluorophenyl)3a6adihydropyrrolo(34d)triazole46dione
C1C(N(N=C1C2=CC=CC=C2)C(=O)CN3C4C(C(=O)N(C4=O)C5=C(C(=CC(=C5F)F)F)F)N=N3)C6=CC=CC=C6
InChI=1SC27H18F4N6O3c28161117(29)22(31)24(21(16)30)3626(39)2325(27(36)40)35(343223)1320(38)3719(1595261015)1218(3337)147314814h111192325H1213H2
MFCD04048884
ZINC000103151413
ZINC000230074584
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