Vitas-M small molecule compound
5-(3-bromophenyl)-1-{2-[3-(4-chlorophenyl)-5-(4-methoxyphenyl)-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
STL175916
SMILES COc1ccc(cc1)C1CC(=NN1C(=O)CN1N=NC2C1C(=O)N(C2=O)c1cccc(c1)Br)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 C28H22BrClN6O4 MW 621.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22BrClN6O4/c1-40-21-11-7-17(8-12-21)23-14-22(16-5-9-19(30)10-6-16)32-36(23)24(37)15-34-26-25(31-33-34)27(38)35(28(26)39)20-4-2-3-18(29)13-20/h2-13,23,25-26H,14-15H2,1H3InChIKey
LPNBEHPHBADNRB-UHFFFAOYSA-NSynonyms
1005251-42-21005251422
5(3bromophenyl)1(2(3(4chlorophenyl)5(4methoxyphenyl)45dihydro1Hpyrazol1yl)2oxoethyl)3a6adihydropyrrolo(34d)(123)triazole46(1H5H)dione
5(3BROMOPHENYL)3(2(5(4CHLOROPHENYL)3(4METHOXYPHENYL)34DIHYDROPYRAZOL2YL)2OXOETHYL)3A6ADIHYDROPYRROLO(34D)TRIAZOLE46DIONE
COC1=CC=C(C=C1)C2CC(=NN2C(=O)CN3C4C(C(=O)N(C4=O)C5=CC(=CC=C5)Br)N=N3)C6=CC=C(C=C6)Cl
InChI=1SC28H22BrClN6O4c1402111717(81221)231422(165919(30)10616)3236(23)24(37)15342625(313334)27(38)35(28(26)39)2042318(29)1320h213232526H1415H21H3
MFCD03466682
ZINC000008454936
ZINC000245239683
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