Vitas-M small molecule compound
7-[(1,3-benzodioxol-5-ylmethyl)amino]-3-(2,4-dimethylphenyl)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Catalog ID
STL127754
SMILES Cc1ccc(c(c1)C)n1c(=O)[nH]c2c(c1=O)cnc(n2)NCc1ccc2c(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 C22H19N5O4 MW 417.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N5O4/c1-12-3-5-16(13(2)7-12)27-20(28)15-10-24-21(25-19(15)26-22(27)29)23-9-14-4-6-17-18(8-14)31-11-30-17/h3-8,10H,9,11H2,1-2H3,(H2,23,24,25,26,29)InChIKey
HSIXBHHLRKIKBQ-UHFFFAOYSA-NSynonyms
2(13benzodioxol5ylmethylamino)6(24dimethylphenyl)8Hpyrimido(45d)pyrimidine57dione
7((13benzodioxol5ylmethyl)amino)3(24dimethylphenyl)pyrimido(45d)pyrimidine24(1H3H)dione
CC1=CC(=C(C=C1)N2C(=O)C3=CN=C(N=C3NC2=O)NCC4=CC5=C(C=C4)OCO5)C
Cc1ccc(c(c1)C)n1c(=O)(nH)c2c(c1=O)cnc(n2)NCc1ccc2c(c1)OCO2
InChI=1SC22H19N5O4c1123516(13(2)712)2720(28)15102421(2519(15)2622(27)29)23914461718(814)31113017h3810H911H212H3(H22324252629)
MFCD20740694
ZINC000067263926
ZINC67263926
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