Vitas-M small molecule compound
1-{2-[3-(4-bromophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-5-(2,6-dimethylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Catalog ID
STK305121
SMILES Brc1ccc(cc1)C1=NN(C(C1)c1ccccc1)C(=O)CN1N=NC2C1C(=O)N(C2=O)c1c(C)cccc1C
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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/c1-17-7-6-8-18(2)26(17)35-28(38)25-27(29(35)39)34(33-31-25)16-24(37)36-23(20-9-4-3-5-10-20)15-22(32-36)19-11-13-21(30)14-12-19/h3-14,23,25,27H,15-16H2,1-2H3InChIKey
MKGINFLQCADYOG-UHFFFAOYSA-NSynonyms
1024311-09-81(2(3(4bromophenyl)5phenyl45dihydro1Hpyrazol1yl)2oxoethyl)5(26dimethylphenyl)3a6adihydropyrrolo(34d)(123)triazole46(1H5H)dione
1024311098
3(2(5(4BROMOPHENYL)3PHENYL34DIHYDROPYRAZOL2YL)2OXOETHYL)5(26DIMETHYLPHENYL)3A6ADIHYDROPYRROLO(34D)TRIAZOLE46DIONE
CC1=C(C(=CC=C1)C)N2C(=O)C3C(C2=O)N(N=N3)CC(=O)N4C(CC(=N4)C5=CC=C(C=C5)Br)C6=CC=CC=C6
InChI=1SC29H25BrN6O3c11776818(2)26(17)3528(38)2527(29(35)39)34(333125)1624(37)3623(2094351020)1522(3236)19111321(30)141219h314232527H1516H212H3
MFCD04049519
ZINC000098046039
ZINC000226726871
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