Vitas-M small molecule compound
1-[2-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)-2-oxoethyl]-5-(pentafluorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Catalog ID
STK303018
SMILES O=C(N1N=C(CC1c1ccccc1)c1ccccc1)CN1N=NC2C1C(=O)N(C2=O)c1c(F)c(F)c(c(c1F)F)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 C27H17F5N6O3 MW 568.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H17F5N6O3/c28-18-19(29)21(31)24(22(32)20(18)30)37-26(40)23-25(27(37)41)36(35-33-23)12-17(39)38-16(14-9-5-2-6-10-14)11-15(34-38)13-7-3-1-4-8-13/h1-10,16,23,25H,11-12H2InChIKey
WDLIANJPJMPVOI-UHFFFAOYSA-NSynonyms
1024218-83-41(2(35diphenyl45dihydro1Hpyrazol1yl)2oxoethyl)5(pentafluorophenyl)3a6adihydropyrrolo(34d)(123)triazole46(1H5H)dione
1024218834
3(2(35diphenyl34dihydropyrazol2yl)2oxoethyl)5(23456pentafluorophenyl)3a6adihydropyrrolo(34d)triazole46dione
C1C(N(N=C1C2=CC=CC=C2)C(=O)CN3C4C(C(=O)N(C4=O)C5=C(C(=C(C(=C5F)F)F)F)F)N=N3)C6=CC=CC=C6
InChI=1SC27H17F5N6O3c281819(29)21(31)24(22(32)20(18)30)3726(40)2325(27(37)41)36(353323)1217(39)3816(1495261014)1115(3438)137314813h110162325H1112H2
MFCD04048889
ZINC000103151651
ZINC000230075151
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