Vitas-M small molecule compound
2-[3-(4-methylbenzyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
Catalog ID
STK879243
SMILES O=C(Cn1cnc2c(c1=O)nnn2Cc1ccc(cc1)C)Nc1ccc(cc1)C(F)(F)F
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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 C21H17F3N6O2 MW 442.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17F3N6O2/c1-13-2-4-14(5-3-13)10-30-19-18(27-28-30)20(32)29(12-25-19)11-17(31)26-16-8-6-15(7-9-16)21(22,23)24/h2-9,12H,10-11H2,1H3,(H,26,31)InChIKey
BQDQLJSBCQMITQ-UHFFFAOYSA-NSynonyms
2(3((4methylphenyl)methyl)7oxotriazolo(45d)pyrimidin6yl)N(4(trifluoromethyl)phenyl)acetamide
2(3(4methylbenzyl)7oxo37dihydro6H(123)triazolo(45d)pyrimidin6yl)N(4(trifluoromethyl)phenyl)acetamide
CC1=CC=C(C=C1)CN2C3=C(C(=O)N(C=N3)CC(=O)NC4=CC=C(C=C4)C(F)(F)F)N=N2
InChI=1SC21H17F3N6O2c1132414(5313)10301918(272830)20(32)29(122519)1117(31)26168615(7916)21(2223)24h2912H1011H21H3(H2631)
MFCD05713029
ZINC000017041907
ZINC17041907
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