Vitas-M small molecule compound
2-(3-benzyl-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl)-N-[4-(propan-2-yl)phenyl]acetamide
Catalog ID
STK879388
SMILES CC(c1ccc(cc1)NC(=O)Cn1cnc2c(c1=O)nnn2Cc1ccccc1)C
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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 C22H22N6O2 MW 402.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N6O2/c1-15(2)17-8-10-18(11-9-17)24-19(29)13-27-14-23-21-20(22(27)30)25-26-28(21)12-16-6-4-3-5-7-16/h3-11,14-15H,12-13H2,1-2H3,(H,24,29)InChIKey
CRVZFJFJJYPWNQ-UHFFFAOYSA-NSynonyms
2(3benzyl7oxo37dihydro6H(123)triazolo(45d)pyrimidin6yl)N(4(propan2yl)phenyl)acetamide
2(3benzyl7oxotriazolo(45d)pyrimidin6yl)N(4propan2ylphenyl)acetamide
CC(C)C1=CC=C(C=C1)NC(=O)CN2C=NC3=C(C2=O)N=NN3CC4=CC=CC=C4
InChI=1SC22H22N6O2c115(2)1781018(11917)2419(29)132714232120(22(27)30)252628(21)12166435716h3111415H1213H212H3(H2429)
MFCD18170731
ZINC000040478177
ZINC40478177
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