Vitas-M small molecule compound

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

Catalog ID
STL039944
SMILES CCCCCn1c(nc2c1c(O)nc(=O)n2C)N1CCN(CC1)c1cccc(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 C21H27ClN6O2 MW 430.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27ClN6O2/c1-3-4-5-9-28-17-18(25(2)21(30)24-19(17)29)23-20(28)27-12-10-26(11-13-27)16-8-6-7-15(22)14-16/h6-8,14H,3-5,9-13H2,1-2H3,(H,24,29,30)
InChIKey
ZWHCMCUJSHPCFE-UHFFFAOYSA-N
Synonyms
578744-09-9
578744099
7AMYL8(4(3CHLOROPHENYL)PIPERAZINO)3METHYLXANTHINE
8(4(3CHLOROPHENYL)1PIPERAZINYL)3METHYL7PENTYLPURINE26DIONE
8(4(3CHLOROPHENYL)PIPERAZIN1YL)3METHYL7PENTYLPURINE26DIONE
8(4(3chlorophenyl)piperazin1yl)6hydroxy3methyl7pentyl37dihydro2Hpurin2one
8(4(3CHLOROPHENYL)PIPERAZINYL)3METHYL7PENTYL137TRIHYDROPURINE26DIONE
CCCCCN1C2=C(N=C1N3CCN(CC3)C4=CC(=CC=C4)Cl)N(C(=O)NC2=O)C
InChI=1SC21H27ClN6O2c13459281718(25(2)21(30)2419(17)29)2320(28)27121026(111327)1686715(22)1416h6814H35913H212H3(H242930)
MFCD04081063
ZINC000001863040
ZINC01863040
ZINC1863040

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Available files

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