Vitas-M small molecule compound
2-[3-(3-methoxybenzyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
Catalog ID
STK879329
SMILES COc1cccc(c1)Cn1nnc2c1ncn(c2=O)CC(=O)Nc1ccccc1C(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 C21H17F3N6O3 MW 458.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17F3N6O3/c1-33-14-6-4-5-13(9-14)10-30-19-18(27-28-30)20(32)29(12-25-19)11-17(31)26-16-8-3-2-7-15(16)21(22,23)24/h2-9,12H,10-11H2,1H3,(H,26,31)InChIKey
CUVYCMCEYOXEKW-UHFFFAOYSA-NSynonyms
2(3((3methoxyphenyl)methyl)7oxotriazolo(45d)pyrimidin6yl)N(2(trifluoromethyl)phenyl)acetamide
2(3(3methoxybenzyl)7oxo37dihydro6H(123)triazolo(45d)pyrimidin6yl)N(2(trifluoromethyl)phenyl)acetamide
COC1=CC=CC(=C1)CN2C3=C(C(=O)N(C=N3)CC(=O)NC4=CC=CC=C4C(F)(F)F)N=N2
InChI=1SC21H17F3N6O3c1331464513(914)10301918(272830)20(32)29(122519)1117(31)2616832715(16)21(2223)24h2912H1011H21H3(H2631)
MFCD18170676
ZINC000040478121
ZINC40478121
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