Vitas-M small molecule compound
N-(3,4-dimethoxybenzyl)-2-[3-oxo-7-(phenylamino)[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl]acetamide
Catalog ID
STL080335
SMILES COc1cc(CNC(=O)Cn2nc3n(c2=O)ccc(n3)Nc2ccccc2)ccc1OC
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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 C22H22N6O4 MW 434.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N6O4/c1-31-17-9-8-15(12-18(17)32-2)13-23-20(29)14-28-22(30)27-11-10-19(25-21(27)26-28)24-16-6-4-3-5-7-16/h3-12H,13-14H2,1-2H3,(H,23,29)(H,24,25,26)InChIKey
HEAYJYZLWDVXPK-UHFFFAOYSA-NSynonyms
2(7anilino3oxo(124)triazolo(43a)pyrimidin2yl)N((34dimethoxyphenyl)methyl)acetamide
COC1=C(C=C(C=C1)CNC(=O)CN2C(=O)N3C=CC(=NC3=N2)NC4=CC=CC=C4)OC
InChI=1SC22H22N6O4c131179815(1218(17)322)132320(29)142822(30)27111019(2521(27)2628)24166435716h312H1314H212H3(H2329)(H242526)
MFCD18201101
N(34dimethoxybenzyl)2(3oxo7(phenylamino)(124)triazolo(43a)pyrimidin2(3H)yl)acetamide
ZINC000057507491
ZINC57507491
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