Vitas-M small molecule compound
3-(3-chlorobenzyl)-9-(3-methoxyphenyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Catalog ID
STL345326
SMILES COc1cccc(c1)N1CCCn2c1nc1c2c(=O)n(c(=O)n1C)Cc1cccc(c1)Cl
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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 C23H22ClN5O3 MW 451.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22ClN5O3/c1-26-20-19(21(30)29(23(26)31)14-15-6-3-7-16(24)12-15)28-11-5-10-27(22(28)25-20)17-8-4-9-18(13-17)32-2/h3-4,6-9,12-13H,5,10-11,14H2,1-2H3InChIKey
XFNSDBAGTAYDFE-UHFFFAOYSA-NSynonyms
848058-81-13((3CHLOROPHENYL)METHYL)9(3METHOXYPHENYL)1METHYL135TRIHYDRO6H7H8H13DIAZAPERHYDROINO(12H)PURINE24DIONE
3((3CHLOROPHENYL)METHYL)9(3METHOXYPHENYL)1METHYL78DIHYDRO6HPURINO(78A)PYRIMIDINE24DIONE
3(3chlorobenzyl)9(3methoxyphenyl)1methyl6789tetrahydropyrimido(21f)purine24(1H3H)dione
848058811
CN1C2=C(C(=O)N(C1=O)CC3=CC(=CC=C3)Cl)N4CCCN(C4=N2)C5=CC(=CC=C5)OC
InChI=1SC23H22ClN5O3c1262019(21(30)29(23(26)31)141563716(24)1215)281151027(22(28)2520)1784918(1317)322h34691213H5101114H212H3
MFCD04186819
ZINC000009015365
ZINC09015365
ZINC9015365
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