Vitas-M small molecule compound

methyl 4-[({7-oxo-3-[3-(trifluoromethyl)benzyl]-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}acetyl)amino]benzoate

Catalog ID
STK879067
SMILES COC(=O)c1ccc(cc1)NC(=O)Cn1cnc2c(c1=O)nnn2Cc1cccc(c1)C(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 C22H17F3N6O4 MW 486.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17F3N6O4/c1-35-21(34)14-5-7-16(8-6-14)27-17(32)11-30-12-26-19-18(20(30)33)28-29-31(19)10-13-3-2-4-15(9-13)22(23,24)25/h2-9,12H,10-11H2,1H3,(H,27,32)
InChIKey
ZIZXPKUVNJMMNY-UHFFFAOYSA-N
Synonyms

COC(=O)C1=CC=C(C=C1)NC(=O)CN2C=NC3=C(C2=O)N=NN3CC4=CC(=CC=C4)C(F)(F)F
InChI=1SC22H17F3N6O4c13521(34)145716(8614)2717(32)113012261918(20(30)33)282931(19)101332415(913)22(2324)25h2912H1011H21H3(H2732)
methyl4(((7oxo3(3(trifluoromethyl)benzyl)37dihydro6H(123)triazolo(45d)pyrimidin6yl)acetyl)amino)benzoate
methyl4((2(7oxo3((3(trifluoromethyl)phenyl)methyl)triazolo(45d)pyrimidin6yl)acetyl)amino)benzoate
MFCD18170476
ZINC000040477167
ZINC40477167

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Available files

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