Vitas-M small molecule compound
N-(3-cyanophenyl)-2-{7-oxo-3-[3-(trifluoromethyl)benzyl]-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}acetamide
Catalog ID
STK879072
SMILES N#Cc1cccc(c1)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 C21H14F3N7O2 MW 453.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14F3N7O2/c22-21(23,24)15-5-1-4-14(7-15)10-31-19-18(28-29-31)20(33)30(12-26-19)11-17(32)27-16-6-2-3-13(8-16)9-25/h1-8,12H,10-11H2,(H,27,32)InChIKey
APSJKFWZUVKDBP-UHFFFAOYSA-NSynonyms
C1=CC(=CC(=C1)C(F)(F)F)CN2C3=C(C(=O)N(C=N3)CC(=O)NC4=CC=CC(=C4)C#N)N=N2
InChI=1SC21H14F3N7O2c2221(2324)1551414(715)10311918(282931)20(33)30(122619)1117(32)271662313(816)925h1812H1011H2(H2732)
MFCD18170481
N(3cyanophenyl)2(7oxo3((3(trifluoromethyl)phenyl)methyl)triazolo(45d)pyrimidin6yl)acetamide
N(3cyanophenyl)2(7oxo3(3(trifluoromethyl)benzyl)37dihydro6H(123)triazolo(45d)pyrimidin6yl)acetamide
ZINC000040477172
ZINC40477172
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