Vitas-M small molecule compound

8-(4-benzylpiperidin-1-yl)-7-[(2Z)-3-chlorobut-2-en-1-yl]-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one

Catalog ID
STK573230
SMILES C/C(=C/Cn1c(nc2c1c(O)nc(=O)n2C)N1CCC(CC1)Cc1ccccc1)/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 C22H26ClN5O2 MW 427.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26ClN5O2/c1-15(23)8-13-28-18-19(26(2)22(30)25-20(18)29)24-21(28)27-11-9-17(10-12-27)14-16-6-4-3-5-7-16/h3-8,17H,9-14H2,1-2H3,(H,25,29,30)/b15-8-
InChIKey
QATZJEFSBWWIRH-NVNXTCNLSA-N
Synonyms
877646-22-5
8(4benzylpiperidin1yl)7((2Z)3chlorobut2en1yl)6hydroxy3methyl37dihydro2Hpurin2one
8(4BENZYLPIPERIDIN1YL)7((Z)3CHLOROBUT2ENYL)3METHYLPURINE26DIONE
877646225
CC(=CCn1c(nc2c1c(O)nc(=O)n2C)N1CCC(CC1)Cc1ccccc1)Cl
CC(=CCN1C2=C(N=C1N3CCC(CC3)CC4=CC=CC=C4)N(C(=O)NC2=O)C)Cl
InChI=1SC22H26ClN5O2c115(23)813281819(26(2)22(30)2520(18)29)2421(28)2711917(101227)14166435716h3817H914H212H3(H252930)b158
MFCD07204497
ZINC000009088777
ZINC09088777
ZINC9088777

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Available files

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