Vitas-M small molecule compound

5-(4-bromo-2-ethylphenyl)-1-[2-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)-2-oxoethyl]-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione

Catalog ID
STK305039
SMILES CCc1cc(Br)ccc1N1C(=O)C2C(C1=O)N(N=N2)CC(=O)N1N=C(CC1c1ccccc1)c1ccccc1

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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 C29H25BrN6O3 MW 585.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25BrN6O3/c1-2-18-15-21(30)13-14-23(18)35-28(38)26-27(29(35)39)34(33-31-26)17-25(37)36-24(20-11-7-4-8-12-20)16-22(32-36)19-9-5-3-6-10-19/h3-15,24,26-27H,2,16-17H2,1H3
InChIKey
CEBOYJYQBRCLBF-UHFFFAOYSA-N
Synonyms
1024310-83-5
1024310835
5(4bromo2ethylphenyl)1(2(35diphenyl45dihydro1Hpyrazol1yl)2oxoethyl)3a6adihydropyrrolo(34d)(123)triazole46(1H5H)dione
5(4BROMO2ETHYLPHENYL)3(2(35DIPHENYL34DIHYDROPYRAZOL2YL)2OXOETHYL)3A6ADIHYDROPYRROLO(34D)TRIAZOLE46DIONE
CCC1=C(C=CC(=C1)Br)N2C(=O)C3C(C2=O)N(N=N3)CC(=O)N4C(CC(=N4)C5=CC=CC=C5)C6=CC=CC=C6
InChI=1SC29H25BrN6O3c12181521(30)131423(18)3528(38)2627(29(35)39)34(333126)1725(37)3624(20117481220)1622(3236)1995361019h315242627H21617H21H3
MFCD04049507
ZINC000098046019
ZINC000103152306

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Available files

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