Vitas-M small molecule compound
7-(azepan-1-yl)-3-(4-methoxyphenyl)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Catalog ID
STL127863
SMILES COc1ccc(cc1)n1c(=O)[nH]c2c(c1=O)cnc(n2)N1CCCCCC1
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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 C19H21N5O3 MW 367.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21N5O3/c1-27-14-8-6-13(7-9-14)24-17(25)15-12-20-18(21-16(15)22-19(24)26)23-10-4-2-3-5-11-23/h6-9,12H,2-5,10-11H2,1H3,(H,20,21,22,26)InChIKey
KIVCGZGMTMKOFK-UHFFFAOYSA-NSynonyms
2(azepan1yl)6(4methoxyphenyl)8Hpyrimido(45d)pyrimidine57dione
7(azepan1yl)3(4methoxyphenyl)pyrimido(45d)pyrimidine24(1H3H)dione
COC1=CC=C(C=C1)N2C(=O)C3=CN=C(N=C3NC2=O)N4CCCCCC4
COc1ccc(cc1)n1c(=O)(nH)c2c(c1=O)cnc(n2)N1CCCCCC1
InChI=1SC19H21N5O3c127148613(7914)2417(25)15122018(2116(15)2219(24)26)231042351123h6912H251011H21H3(H20212226)
MFCD20740797
ZINC000067264219
ZINC67264219
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