Vitas-M small molecule compound

7-(2-chlorobenzyl)-6-hydroxy-3-methyl-8-[4-(2-methylprop-2-en-1-yl)piperazin-1-yl]-3,7-dihydro-2H-purin-2-one

Catalog ID
STK590704
SMILES CC(=C)CN1CCN(CC1)c1nc2c(n1Cc1ccccc1Cl)c(O)nc(=O)n2C

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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 C21H25ClN6O2 MW 428.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25ClN6O2/c1-14(2)12-26-8-10-27(11-9-26)20-23-18-17(19(29)24-21(30)25(18)3)28(20)13-15-6-4-5-7-16(15)22/h4-7H,1,8-13H2,2-3H3,(H,24,29,30)
InChIKey
ICKHZBQGTLFPJJ-UHFFFAOYSA-N
Synonyms
878431-46-0
7((2CHLOROPHENYL)METHYL)3METHYL8(4(2METHYLPROP2ENYL)PIPERAZIN1YL)PURINE26DIONE
7(2CHLOROBENZYL)3METHYL8(4(2METHYLALLYL)PIPERAZIN1YL)1HPURINE26(3H7H)DIONE
7(2chlorobenzyl)6hydroxy3methyl8(4(2methylprop2en1yl)piperazin1yl)37dihydro2Hpurin2one
CC(=C)CN1CCN(CC1)C2=NC3=C(N2CC4=CC=CC=C4Cl)C(=O)NC(=O)N3C
InChI=1SC21H25ClN6O2c114(2)122681027(11926)20231817(19(29)2421(30)25(18)3)28(20)1315645716(15)22h47H1813H223H3(H242930)
MFCD08729755
ZINC000008996389
ZINC8996389

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Available files

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