Vitas-M small molecule compound
3-(1,3-benzodioxol-5-yl)-7-[(2,4-dimethoxybenzyl)amino]pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Catalog ID
STL126592
SMILES COc1ccc(c(c1)OC)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 C22H19N5O6 MW 449.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N5O6/c1-30-14-5-3-12(17(8-14)31-2)9-23-21-24-10-15-19(25-21)26-22(29)27(20(15)28)13-4-6-16-18(7-13)33-11-32-16/h3-8,10H,9,11H2,1-2H3,(H2,23,24,25,26,29)InChIKey
QCEIOPAXMLPYSX-UHFFFAOYSA-NSynonyms
3(13benzodioxol5yl)7((24dimethoxybenzyl)amino)pyrimido(45d)pyrimidine24(1H3H)dione
6(13benzodioxol5yl)2((24dimethoxyphenyl)methylamino)8Hpyrimido(45d)pyrimidine57dione
COC1=CC(=C(C=C1)CNC2=NC=C3C(=N2)NC(=O)N(C3=O)C4=CC5=C(C=C4)OCO5)OC
COc1ccc(c(c1)OC)CNc1ncc2c(n1)(nH)c(=O)n(c2=O)c1ccc2c(c1)OCO2
InChI=1SC22H19N5O6c130145312(17(814)312)9232124101519(2521)2622(29)27(20(15)28)13461618(713)33113216h3810H911H212H3(H22324252629)
MFCD20739221
ZINC000102911765
ZINC102911765
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