Vitas-M small molecule compound
3-(1,3-benzodioxol-5-yl)-7-[(4-methoxybenzyl)amino]pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Catalog ID
STL126587
SMILES COc1ccc(cc1)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 C21H17N5O5 MW 419.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N5O5/c1-29-14-5-2-12(3-6-14)9-22-20-23-10-15-18(24-20)25-21(28)26(19(15)27)13-4-7-16-17(8-13)31-11-30-16/h2-8,10H,9,11H2,1H3,(H2,22,23,24,25,28)InChIKey
NRZUTNOBMDBTHK-UHFFFAOYSA-NSynonyms
3(13benzodioxol5yl)7((4methoxybenzyl)amino)pyrimido(45d)pyrimidine24(1H3H)dione
6(13benzodioxol5yl)2((4methoxyphenyl)methylamino)8Hpyrimido(45d)pyrimidine57dione
COC1=CC=C(C=C1)CNC2=NC=C3C(=N2)NC(=O)N(C3=O)C4=CC5=C(C=C4)OCO5
COc1ccc(cc1)CNc1ncc2c(n1)(nH)c(=O)n(c2=O)c1ccc2c(c1)OCO2
InChI=1SC21H17N5O5c129145212(3614)9222023101518(2420)2521(28)26(19(15)27)13471617(813)31113016h2810H911H21H3(H22223242528)
MFCD20739216
ZINC000102911677
ZINC102911677
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