Vitas-M small molecule compound

1-{2-[3-(4-bromophenyl)-5-phenyl-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
STK305023
SMILES Brc1ccc(cc1)C1=NN(C(C1)c1ccccc1)C(=O)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 C27H16BrF5N6O3 MW 647.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H16BrF5N6O3/c28-14-8-6-12(7-9-14)15-10-16(13-4-2-1-3-5-13)39(35-15)17(40)11-37-25-23(34-36-37)26(41)38(27(25)42)24-21(32)19(30)18(29)20(31)22(24)33/h1-9,16,23,25H,10-11H2
InChIKey
HOIKECWWQGNFEP-UHFFFAOYSA-N
Synonyms
1024232-48-1
1(2(3(4bromophenyl)5phenyl45dihydro1Hpyrazol1yl)2oxoethyl)5(pentafluorophenyl)3a6adihydropyrrolo(34d)(123)triazole46(1H5H)dione
1024232481
3(2(5(4bromophenyl)3phenyl34dihydropyrazol2yl)2oxoethyl)5(23456pentafluorophenyl)3a6adihydropyrrolo(34d)triazole46dione
C1C(N(N=C1C2=CC=C(C=C2)Br)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=1SC27H16BrF5N6O3c28148612(7914)151016(134213513)39(3515)17(40)11372523(343637)26(41)38(27(25)42)2421(32)19(30)18(29)20(31)22(24)33h19162325H1011H2
MFCD04049511
ZINC000150630472
ZINC000229872747

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Available files

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