Vitas-M small molecule compound
N-(3-acetylphenyl)-2-[3-(3-chlorobenzyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetamide
Catalog ID
STK879265
SMILES O=C(Cn1cnc2c(c1=O)nnn2Cc1cccc(c1)Cl)Nc1cccc(c1)C(=O)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 C21H17ClN6O3 MW 436.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17ClN6O3/c1-13(29)15-5-3-7-17(9-15)24-18(30)11-27-12-23-20-19(21(27)31)25-26-28(20)10-14-4-2-6-16(22)8-14/h2-9,12H,10-11H2,1H3,(H,24,30)InChIKey
BRORQOQVSSWBFF-UHFFFAOYSA-NSynonyms
CC(=O)C1=CC(=CC=C1)NC(=O)CN2C=NC3=C(C2=O)N=NN3CC4=CC(=CC=C4)Cl
InChI=1SC21H17ClN6O3c113(29)1553717(915)2418(30)112712232019(21(27)31)252628(20)101442616(22)814h2912H1011H21H3(H2430)
MFCD18170612
N(3acetylphenyl)2(3((3chlorophenyl)methyl)7oxotriazolo(45d)pyrimidin6yl)acetamide
N(3acetylphenyl)2(3(3chlorobenzyl)7oxo37dihydro6H(123)triazolo(45d)pyrimidin6yl)acetamide
ZINC000040478057
ZINC40478057
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