Vitas-M small molecule compound
1-{2-[3-(4-bromophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-5-(3-fluorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Catalog ID
STL168530
SMILES Brc1ccc(cc1)C1=NN(C(C1)c1ccccc1)C(=O)CN1N=NC2C1C(=O)N(C2=O)c1cccc(c1)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 C27H20BrFN6O3 MW 575.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20BrFN6O3/c28-18-11-9-16(10-12-18)21-14-22(17-5-2-1-3-6-17)35(31-21)23(36)15-33-25-24(30-32-33)26(37)34(27(25)38)20-8-4-7-19(29)13-20/h1-13,22,24-25H,14-15H2InChIKey
IXMOEIDEVHJVOJ-UHFFFAOYSA-NSynonyms
438229-43-71(2(3(4bromophenyl)5phenyl45dihydro1Hpyrazol1yl)2oxoethyl)5(3fluorophenyl)3a6adihydropyrrolo(34d)(123)triazole46(1H5H)dione
3(2(5(4BROMOPHENYL)3PHENYL34DIHYDROPYRAZOL2YL)2OXOETHYL)5(3FLUOROPHENYL)3A6ADIHYDROPYRROLO(34D)TRIAZOLE46DIONE
438229437
C1C(N(N=C1C2=CC=C(C=C2)Br)C(=O)CN3C4C(C(=O)N(C4=O)C5=CC(=CC=C5)F)N=N3)C6=CC=CC=C6
InChI=1SC27H20BrFN6O3c281811916(101218)211422(175213617)35(3121)23(36)15332524(303233)26(37)34(27(25)38)2084719(29)1320h113222425H1415H2
MFCD03466857
ZINC000102831244
ZINC000143440803
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