Vitas-M small molecule compound
2-[5-(4-chlorophenyl)-7-(4-fluorophenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Catalog ID
STL236638
SMILES Fc1ccc(cc1)C1CC(Nc2n1nc(n2)N1C(=O)C2C(C1=O)CC=CC2)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 C25H21ClFN5O2 MW 477.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21ClFN5O2/c26-16-9-5-14(6-10-16)20-13-21(15-7-11-17(27)12-8-15)32-24(28-20)29-25(30-32)31-22(33)18-3-1-2-4-19(18)23(31)34/h1-2,5-12,18-21H,3-4,13H2,(H,28,29,30)InChIKey
DSYZJMGRRPONHU-UHFFFAOYSA-NSynonyms
1024532-14-61024532146
2(5(4chlorophenyl)7(4fluorophenyl)1567tetrahydro(124)triazolo(15a)pyrimidin2yl)3a477atetrahydroisoindole13dione
2(5(4chlorophenyl)7(4fluorophenyl)4567tetrahydro(124)triazolo(15a)pyrimidin2yl)3a477atetrahydro1Hisoindole13(2H)dione
C1C=CCC2C1C(=O)N(C2=O)C3=NC4=NC(CC(N4N3)C5=CC=C(C=C5)F)C6=CC=C(C=C6)Cl
InChI=1SC25H21ClFN5O2c26169514(61016)201321(1571117(27)12815)3224(2820)2925(3032)3122(33)18312419(18)23(31)34h125121821H3413H2(H282930)
MFCD04161859
ZINC000008970670
ZINC000008970677
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