Vitas-M small molecule compound
3-(4-ethylphenyl)-7-[(2-fluorobenzyl)amino]pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Catalog ID
STL127641
SMILES CCc1ccc(cc1)n1c(=O)[nH]c2c(c1=O)cnc(n2)NCc1ccccc1F
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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 C21H18FN5O2 MW 391.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18FN5O2/c1-2-13-7-9-15(10-8-13)27-19(28)16-12-24-20(25-18(16)26-21(27)29)23-11-14-5-3-4-6-17(14)22/h3-10,12H,2,11H2,1H3,(H2,23,24,25,26,29)InChIKey
SMDHGAXVBKDCHV-UHFFFAOYSA-NSynonyms
3(4ethylphenyl)7((2fluorobenzyl)amino)pyrimido(45d)pyrimidine24(1H3H)dione
6(4ethylphenyl)2((2fluorophenyl)methylamino)8Hpyrimido(45d)pyrimidine57dione
CCC1=CC=C(C=C1)N2C(=O)C3=CN=C(N=C3NC2=O)NCC4=CC=CC=C4F
CCc1ccc(cc1)n1c(=O)(nH)c2c(c1=O)cnc(n2)NCc1ccccc1F
InChI=1SC21H18FN5O2c12137915(10813)2719(28)16122420(2518(16)2621(27)29)231114534617(14)22h31012H211H21H3(H22324252629)
MFCD20740581
ZINC000067263573
ZINC67263573
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