Vitas-M small molecule compound
N-(3-fluoro-4-methylphenyl)-2-[3-(4-methylbenzyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetamide
Catalog ID
STK879229
SMILES Cc1ccc(cc1)Cn1nnc2c1ncn(c2=O)CC(=O)Nc1ccc(c(c1)F)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 C21H19FN6O2 MW 406.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19FN6O2/c1-13-3-6-15(7-4-13)10-28-20-19(25-26-28)21(30)27(12-23-20)11-18(29)24-16-8-5-14(2)17(22)9-16/h3-9,12H,10-11H2,1-2H3,(H,24,29)InChIKey
WIAXUBPZYMPJJV-UHFFFAOYSA-NSynonyms
CC1=CC=C(C=C1)CN2C3=C(C(=O)N(C=N3)CC(=O)NC4=CC(=C(C=C4)C)F)N=N2
InChI=1SC21H19FN6O2c1133615(7413)10282019(252628)21(30)27(122320)1118(29)24168514(2)17(22)916h3912H1011H212H3(H2429)
MFCD18170584
N(3fluoro4methylphenyl)2(3((4methylphenyl)methyl)7oxotriazolo(45d)pyrimidin6yl)acetamide
N(3fluoro4methylphenyl)2(3(4methylbenzyl)7oxo37dihydro6H(123)triazolo(45d)pyrimidin6yl)acetamide
ZINC000040478029
ZINC40478029
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