Vitas-M small molecule compound
N-(4-fluorobenzyl)-2-[3-(4-methoxyphenyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetamide
Catalog ID
STK879457
SMILES COc1ccc(cc1)n1nnc2c1ncn(c2=O)CC(=O)NCc1ccc(cc1)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 C20H17FN6O3 MW 408.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17FN6O3/c1-30-16-8-6-15(7-9-16)27-19-18(24-25-27)20(29)26(12-23-19)11-17(28)22-10-13-2-4-14(21)5-3-13/h2-9,12H,10-11H2,1H3,(H,22,28)InChIKey
AOFMRCZUFMIKSO-UHFFFAOYSA-NSynonyms
COC1=CC=C(C=C1)N2C3=C(C(=O)N(C=N3)CC(=O)NCC4=CC=C(C=C4)F)N=N2
InChI=1SC20H17FN6O3c130168615(7916)271918(242527)20(29)26(122319)1117(28)2210132414(21)5313h2912H1011H21H3(H2228)
MFCD04471252
N((4fluorophenyl)methyl)2(3(4methoxyphenyl)7oxotriazolo(45d)pyrimidin6yl)acetamide
N(4fluorobenzyl)2(3(4methoxyphenyl)7oxo37dihydro6H(123)triazolo(45d)pyrimidin6yl)acetamide
ZINC000005033348
ZINC05033348
ZINC5033348
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