Vitas-M small molecule compound
1-{2-[3-(4-chlorophenyl)-5-(4-methoxyphenyl)-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
STL175918
SMILES COc1ccc(cc1)C1CC(=NN1C(=O)CN1N=NC2C1C(=O)N(C2=O)c1cccc(c1)F)c1ccc(cc1)Cl
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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 C28H22ClFN6O4 MW 560.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22ClFN6O4/c1-40-21-11-7-17(8-12-21)23-14-22(16-5-9-18(29)10-6-16)32-36(23)24(37)15-34-26-25(31-33-34)27(38)35(28(26)39)20-4-2-3-19(30)13-20/h2-13,23,25-26H,14-15H2,1H3InChIKey
WMZZBRBEDNTNFA-UHFFFAOYSA-NSynonyms
1212383-31-71(2(3(4chlorophenyl)5(4methoxyphenyl)45dihydro1Hpyrazol1yl)2oxoethyl)5(3fluorophenyl)3a6adihydropyrrolo(34d)(123)triazole46(1H5H)dione
1212383317
3(2(5(4CHLOROPHENYL)3(4METHOXYPHENYL)34DIHYDROPYRAZOL2YL)2OXOETHYL)5(3FLUOROPHENYL)3A6ADIHYDROPYRROLO(34D)TRIAZOLE46DIONE
COC1=CC=C(C=C1)C2CC(=NN2C(=O)CN3C4C(C(=O)N(C4=O)C5=CC(=CC=C5)F)N=N3)C6=CC=C(C=C6)Cl
InChI=1SC28H22ClFN6O4c1402111717(81221)231422(165918(29)10616)3236(23)24(37)15342625(313334)27(38)35(28(26)39)2042319(30)1320h213232526H1415H21H3
MFCD03466645
ZINC000008454919
ZINC000245241036
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