Vitas-M small molecule compound
N-(2,6-dimethylphenyl)-2-[3-(3-methoxybenzyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetamide
Catalog ID
STK879345
SMILES COc1cccc(c1)Cn1nnc2c1ncn(c2=O)CC(=O)Nc1c(C)cccc1C
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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 C22H22N6O3 MW 418.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N6O3/c1-14-6-4-7-15(2)19(14)24-18(29)12-27-13-23-21-20(22(27)30)25-26-28(21)11-16-8-5-9-17(10-16)31-3/h4-10,13H,11-12H2,1-3H3,(H,24,29)InChIKey
XSJFFIHWTJOSKK-UHFFFAOYSA-NSynonyms
CC1=C(C(=CC=C1)C)NC(=O)CN2C=NC3=C(C2=O)N=NN3CC4=CC(=CC=C4)OC
InChI=1SC22H22N6O3c11464715(2)19(14)2418(29)122713232120(22(27)30)252628(21)111685917(1016)313h41013H1112H213H3(H2429)
MFCD18170692
N(26dimethylphenyl)2(3((3methoxyphenyl)methyl)7oxotriazolo(45d)pyrimidin6yl)acetamide
N(26dimethylphenyl)2(3(3methoxybenzyl)7oxo37dihydro6H(123)triazolo(45d)pyrimidin6yl)acetamide
ZINC000040478137
ZINC40478137
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