Vitas-M small molecule compound
5-(3-bromophenyl)-1-{2-[5-(4-methoxyphenyl)-3-phenyl-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
STL175888
SMILES COc1ccc(cc1)C1CC(=NN1C(=O)CN1N=NC2C1C(=O)N(C2=O)c1cccc(c1)Br)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 C28H23BrN6O4 MW 587.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23BrN6O4/c1-39-21-12-10-18(11-13-21)23-15-22(17-6-3-2-4-7-17)31-35(23)24(36)16-33-26-25(30-32-33)27(37)34(28(26)38)20-9-5-8-19(29)14-20/h2-14,23,25-26H,15-16H2,1H3InChIKey
TVJWUWLPKTVPTE-UHFFFAOYSA-NSynonyms
1212279-03-21212279032
5(3bromophenyl)1(2(5(4methoxyphenyl)3phenyl45dihydro1Hpyrazol1yl)2oxoethyl)3a6adihydropyrrolo(34d)(123)triazole46(1H5H)dione
5(3BROMOPHENYL)3(2(3(4METHOXYPHENYL)5PHENYL34DIHYDROPYRAZOL2YL)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=CC=C6
InChI=1SC28H23BrN6O4c13921121018(111321)231522(176324717)3135(23)24(36)16332625(303233)27(37)34(28(26)38)2095819(29)1420h214232526H1516H21H3
MFCD03466599
ZINC000008454903
ZINC000245227852
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