Vitas-M small molecule compound
3-(1,3-benzodioxol-5-yl)-7-[(3-ethoxybenzyl)amino]pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Catalog ID
STL126589
SMILES CCOc1cccc(c1)CNc1ncc2c(n1)[nH]c(=O)n(c2=O)c1ccc2c(c1)OCO2
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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 C22H19N5O5 MW 433.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N5O5/c1-2-30-15-5-3-4-13(8-15)10-23-21-24-11-16-19(25-21)26-22(29)27(20(16)28)14-6-7-17-18(9-14)32-12-31-17/h3-9,11H,2,10,12H2,1H3,(H2,23,24,25,26,29)InChIKey
AARLGDRQYMQSHV-UHFFFAOYSA-NSynonyms
3(13benzodioxol5yl)7((3ethoxybenzyl)amino)pyrimido(45d)pyrimidine24(1H3H)dione
6(13benzodioxol5yl)2((3ethoxyphenyl)methylamino)8Hpyrimido(45d)pyrimidine57dione
CCOC1=CC=CC(=C1)CNC2=NC=C3C(=N2)NC(=O)N(C3=O)C4=CC5=C(C=C4)OCO5
CCOc1cccc(c1)CNc1ncc2c(n1)(nH)c(=O)n(c2=O)c1ccc2c(c1)OCO2
InChI=1SC22H19N5O5c12301553413(815)10232124111619(2521)2622(29)27(20(16)28)14671718(914)32123117h3911H21012H21H3(H22324252629)
MFCD20739218
ZINC000102911704
ZINC102911704
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