Vitas-M small molecule compound
2-[3-oxo-7-(phenylamino)[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
Catalog ID
STL080331
SMILES COc1cc(NC(=O)Cn2nc3n(c2=O)ccc(n3)Nc2ccccc2)cc(c1OC)OC
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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 C22H22N6O5 MW 450.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N6O5/c1-31-16-11-15(12-17(32-2)20(16)33-3)24-19(29)13-28-22(30)27-10-9-18(25-21(27)26-28)23-14-7-5-4-6-8-14/h4-12H,13H2,1-3H3,(H,24,29)(H,23,25,26)InChIKey
SMKYGDKFEVLCOH-UHFFFAOYSA-NSynonyms
2(3oxo7(phenylamino)(124)triazolo(43a)pyrimidin2(3H)yl)N(345trimethoxyphenyl)acetamide
2(7anilino3oxo(124)triazolo(43a)pyrimidin2yl)N(345trimethoxyphenyl)acetamide
COC1=CC(=CC(=C1OC)OC)NC(=O)CN2C(=O)N3C=CC(=NC3=N2)NC4=CC=CC=C4
InChI=1SC22H22N6O5c131161115(1217(322)20(16)333)2419(29)132822(30)2710918(2521(27)2628)23147546814h412H13H213H3(H2429)(H232526)
MFCD18201097
ZINC000057507475
ZINC57507475
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