Vitas-M small molecule compound

1-{2-[3-(4-bromophenyl)-5-phenyl-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
STK305131
SMILES Brc1ccc(cc1)C1=NN(C(C1)c1ccccc1)C(=O)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 C27H17BrF4N6O3 MW 629.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H17BrF4N6O3/c28-15-8-6-13(7-9-15)18-11-19(14-4-2-1-3-5-14)38(34-18)20(39)12-36-25-23(33-35-36)26(40)37(27(25)41)24-21(31)16(29)10-17(30)22(24)32/h1-10,19,23,25H,11-12H2
InChIKey
LOFWZMFPNNZYQC-UHFFFAOYSA-N
Synonyms
1024311-11-2
1(2(3(4bromophenyl)5phenyl45dihydro1Hpyrazol1yl)2oxoethyl)5(2356tetrafluorophenyl)3a6adihydropyrrolo(34d)(123)triazole46(1H5H)dione
1024311112
3(2(5(4bromophenyl)3phenyl34dihydropyrazol2yl)2oxoethyl)5(2356tetrafluorophenyl)3a6adihydropyrrolo(34d)triazole46dione
C1C(N(N=C1C2=CC=C(C=C2)Br)C(=O)CN3C4C(C(=O)N(C4=O)C5=C(C(=CC(=C5F)F)F)F)N=N3)C6=CC=CC=C6
InChI=1SC27H17BrF4N6O3c28158613(7915)181119(144213514)38(3418)20(39)12362523(333536)26(40)37(27(25)41)2421(31)16(29)1017(30)22(24)32h110192325H1112H2
MFCD04049510
ZINC000150630252
ZINC000229873610

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Available files

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