Vitas-M small molecule compound

1-(2-{3-[4-(difluoromethoxy)phenyl]-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl}-2-oxoethyl)-5-phenyl-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione

Catalog ID
STK305738
SMILES FC(Oc1ccc(cc1)C1=NN(C(C1)c1ccccc1)C(=O)CN1N=NC2C1C(=O)N(C2=O)c1ccccc1)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 C28H22F2N6O4 MW 544.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22F2N6O4/c29-28(30)40-20-13-11-17(12-14-20)21-15-22(18-7-3-1-4-8-18)36(32-21)23(37)16-34-25-24(31-33-34)26(38)35(27(25)39)19-9-5-2-6-10-19/h1-14,22,24-25,28H,15-16H2
InChIKey
DDNBIKIMHZHHII-UHFFFAOYSA-N
Synonyms
1024304-05-9
1(2(3(4(difluoromethoxy)phenyl)5phenyl45dihydro1Hpyrazol1yl)2oxoethyl)5phenyl3a6adihydropyrrolo(34d)(123)triazole46(1H5H)dione
1024304059
3(2(5(4(DIFLUOROMETHOXY)PHENYL)3PHENYL34DIHYDROPYRAZOL2YL)2OXOETHYL)5PHENYL3A6ADIHYDROPYRROLO(34D)TRIAZOLE46DIONE
C1C(N(N=C1C2=CC=C(C=C2)OC(F)F)C(=O)CN3C4C(C(=O)N(C4=O)C5=CC=CC=C5)N=N3)C6=CC=CC=C6
InChI=1SC28H22F2N6O4c2928(30)4020131117(121420)211522(187314818)36(3221)23(37)16342524(313334)26(38)35(27(25)39)1995261019h11422242528H1516H2
MFCD04045561
ZINC000103152219
ZINC000239038425

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Available files

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