Vitas-M small molecule compound

8-{[benzyl(methyl)amino]methyl}-1,3-dimethyl-7-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK584036
SMILES CN(Cc1nc2c(n1CCC(C)C)c(=O)n(c(=O)n2C)C)Cc1ccccc1

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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 C21H29N5O2 MW 383.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H29N5O2/c1-15(2)11-12-26-17(14-23(3)13-16-9-7-6-8-10-16)22-19-18(26)20(27)25(5)21(28)24(19)4/h6-10,15H,11-14H2,1-5H3
InChIKey
IBEJBQLZSYSDCB-UHFFFAOYSA-N
Synonyms
851941-75-8
13DIMETHYL7(3METHYLBUTYL)8((METHYLBENZYLAMINO)METHYL)137TRIHYDROPURINE26DIONE
8((benzyl(methyl)amino)methyl)13dimethyl7(3methylbutyl)37dihydro1Hpurine26dione
8((BENZYL(METHYL)AMINO)METHYL)13DIMETHYL7(3METHYLBUTYL)PURINE26DIONE
8((benzyl(methyl)amino)methyl)7isopentyl13dimethyl1Hpurine26(3H7H)dione
851941758
CC(C)CCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN(C)CC3=CC=CC=C3
InChI=1SC21H29N5O2c115(2)11122617(1423(3)131697681016)221918(26)20(27)25(5)21(28)24(19)4h61015H1114H215H3
MFCD04466663
ZINC000005789651
ZINC5789651

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Available files

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