Vitas-M small molecule compound
3-(1,3-benzodioxol-5-yl)-7-[4-(pyridin-2-yl)piperazin-1-yl]pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Catalog ID
STL127286
SMILES O=c1[nH]c2nc(ncc2c(=O)n1c1ccc2c(c1)OCO2)N1CCN(CC1)c1ccccn1
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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 C22H19N7O4 MW 445.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N7O4/c30-20-15-12-24-21(28-9-7-27(8-10-28)18-3-1-2-6-23-18)25-19(15)26-22(31)29(20)14-4-5-16-17(11-14)33-13-32-16/h1-6,11-12H,7-10,13H2,(H,24,25,26,31)InChIKey
RFPNMNMTIZHLFC-UHFFFAOYSA-NSynonyms
3(13benzodioxol5yl)7(4(pyridin2yl)piperazin1yl)pyrimido(45d)pyrimidine24(1H3H)dione
6(13benzodioxol5yl)2(4pyridin2ylpiperazin1yl)8Hpyrimido(45d)pyrimidine57dione
C1CN(CCN1C2=CC=CC=N2)C3=NC=C4C(=N3)NC(=O)N(C4=O)C5=CC6=C(C=C5)OCO6
InChI=1SC22H19N7O4c302015122421(289727(81028)1831262318)2519(15)2622(31)29(20)14451617(1114)33133216h161112H71013H2(H24252631)
MFCD20740202
O=c1(nH)c2nc(ncc2c(=O)n1c1ccc2c(c1)OCO2)N1CCN(CC1)c1ccccn1
ZINC000067262813
ZINC67262813
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