Vitas-M small molecule compound
methyl 7-[3-(benzyloxy)phenyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Catalog ID
STK918939
SMILES COC(=O)C1=C(C)Nc2n(C1c1cccc(c1)OCc1ccccc1)ncn2
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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 C21H20N4O3 MW 376.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O3/c1-14-18(20(26)27-2)19(25-21(24-14)22-13-23-25)16-9-6-10-17(11-16)28-12-15-7-4-3-5-8-15/h3-11,13,19H,12H2,1-2H3,(H,22,23,24)InChIKey
NRSHOTDTIBSEIK-UHFFFAOYSA-NSynonyms
CC1=C(C(N2C(=N1)N=CN2)C3=CC(=CC=C3)OCC4=CC=CC=C4)C(=O)OCmethyl5methyl7(3phenylmethoxyphenyl)17dihydro(124)triazolo(15a)pyrimidine6carboxylate
methyl7(3(benzyloxy)phenyl)5methyl47dihydro(124)triazolo(15a)pyrimidine6carboxylate
Registry IDs
MFCD04567441ZINC000015016776
ZINC000015016777
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