Vitas-M small molecule compound
4-{[7-(4-fluorophenyl)-5-phenyl-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino}-4-oxobutanoic acid
Catalog ID
STK653337
SMILES O=C(Nc1nn2c(=NC(=CC2c2ccc(cc2)F)c2ccccc2)[nH]1)CCC(=O)O
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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 C21H18FN5O3 MW 407.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18FN5O3/c22-15-8-6-14(7-9-15)17-12-16(13-4-2-1-3-5-13)23-21-25-20(26-27(17)21)24-18(28)10-11-19(29)30/h1-9,12,17H,10-11H2,(H,29,30)(H2,23,24,25,26,28)InChIKey
KGDURUZPHDAMOE-UHFFFAOYSA-NSynonyms
835909-51-84((7(4FLUOROPHENYL)5PHENYL17DIHYDRO(124)TRIAZOLO(15A)PYRIMIDIN2YL)AMINO)4OXOBUTANOICACID
4((7(4fluorophenyl)5phenyl37dihydro(124)triazolo(15a)pyrimidin2yl)amino)4oxobutanoicacid
835909518
C1=CC=C(C=C1)C2=CC(N3C(=N2)N=C(N3)NC(=O)CCC(=O)O)C4=CC=C(C=C4)F
InChI=1SC21H18FN5O3c22158614(7915)171216(134213513)23212520(2627(17)21)2418(28)101119(29)30h191217H1011H2(H2930)(H22324252628)
MFCD18166660
O=C(Nc1nn2c(=NC(=CC2c2ccc(cc2)F)c2ccccc2)(nH)1)CCC(=O)O
ZINC000002249296
ZINC000002249297
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