Vitas-M small molecule compound
N-(2-chloro-6-methylphenyl)-2-[3-(3-methoxybenzyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetamide
Catalog ID
STK879382
SMILES COc1cccc(c1)Cn1nnc2c1ncn(c2=O)CC(=O)Nc1c(C)cccc1Cl
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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 C21H19ClN6O3 MW 438.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClN6O3/c1-13-5-3-8-16(22)18(13)24-17(29)11-27-12-23-20-19(21(27)30)25-26-28(20)10-14-6-4-7-15(9-14)31-2/h3-9,12H,10-11H2,1-2H3,(H,24,29)InChIKey
YMYQDUONIQTWIZ-UHFFFAOYSA-NSynonyms
CC1=C(C(=CC=C1)Cl)NC(=O)CN2C=NC3=C(C2=O)N=NN3CC4=CC(=CC=C4)OC
InChI=1SC21H19ClN6O3c11353816(22)18(13)2417(29)112712232019(21(27)30)252628(20)101464715(914)312h3912H1011H212H3(H2429)
MFCD18170729
N(2chloro6methylphenyl)2(3((3methoxyphenyl)methyl)7oxotriazolo(45d)pyrimidin6yl)acetamide
N(2chloro6methylphenyl)2(3(3methoxybenzyl)7oxo37dihydro6H(123)triazolo(45d)pyrimidin6yl)acetamide
ZINC000040478175
ZINC40478175
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