Vitas-M small molecule compound
2-[(4,6-dimethylpyrimidin-2-yl)amino]-3-phenyl-1-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]propan-1-one
Catalog ID
STL423879
SMILES O=C(C(Nc1nc(C)cc(n1)C)Cc1ccccc1)N1CCn2c(C1)nnc2C(F)(F)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 C21H22F3N7O MW 445.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22F3N7O/c1-13-10-14(2)26-20(25-13)27-16(11-15-6-4-3-5-7-15)18(32)30-8-9-31-17(12-30)28-29-19(31)21(22,23)24/h3-7,10,16H,8-9,11-12H2,1-2H3,(H,25,26,27)InChIKey
PZSVYVZMUOAVFG-UHFFFAOYSA-NSynonyms
1630823-28-71630823287
2((46dimethylpyrimidin2yl)amino)3phenyl1(3(trifluoromethyl)56dihydro(124)triazolo(43a)pyrazin7(8H)yl)propan1one
2((46dimethylpyrimidin2yl)amino)3phenyl1(3(trifluoromethyl)68dihydro5H(124)triazolo(43a)pyrazin7yl)propan1one
CC1=CC(=NC(=N1)NC(CC2=CC=CC=C2)C(=O)N3CCN4C(=NN=C4C(F)(F)F)C3)C
InChI=1SC21H22F3N7Oc1131014(2)2620(2513)2716(11156435715)18(32)30893117(1230)282919(31)21(2223)24h371016H891112H212H3(H252627)
MFCD28368412
ZINC000218419035
ZINC000218419112
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