Vitas-M small molecule compound
1-(4-chlorobenzyl)-8-[(4-methoxybenzyl)amino]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STL339659
SMILES COc1ccc(cc1)CNc1nc2c(n1C)c(=O)n(c(=O)n2C)Cc1ccc(cc1)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 C22H22ClN5O3 MW 439.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22ClN5O3/c1-26-18-19(25-21(26)24-12-14-6-10-17(31-3)11-7-14)27(2)22(30)28(20(18)29)13-15-4-8-16(23)9-5-15/h4-11H,12-13H2,1-3H3,(H,24,25)InChIKey
IABJLFNKDOFOFZ-UHFFFAOYSA-NSynonyms
842975-10-41((4CHLOROPHENYL)METHYL)8((4METHOXYPHENYL)METHYLAMINO)37DIMETHYLPURINE26DIONE
1(4CHLOROBENZYL)37DIMETHYL8(PANISYLAMINO)XANTHINE
1(4chlorobenzyl)8((4methoxybenzyl)amino)37dimethyl1Hpurine26(3H7H)dione
1(4chlorobenzyl)8((4methoxybenzyl)amino)37dimethyl37dihydro1Hpurine26dione
842975104
CN1C2=C(N=C1NCC3=CC=C(C=C3)OC)N(C(=O)N(C2=O)CC4=CC=C(C=C4)Cl)C
InChI=1SC22H22ClN5O3c1261819(2521(26)24121461017(313)11714)27(2)22(30)28(20(18)29)13154816(23)9515h411H1213H213H3(H2425)
MFCD04012949
ZINC000002409443
ZINC02409443
ZINC2409443
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