Vitas-M small molecule compound
7-(4-chlorobenzyl)-8-[(4-ethylpiperazin-1-yl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK586390
SMILES CCN1CCN(CC1)Cc1nc2c(n1Cc1ccc(cc1)Cl)c(=O)n(c(=O)n2C)C
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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/c1-4-26-9-11-27(12-10-26)14-17-23-19-18(20(29)25(3)21(30)24(19)2)28(17)13-15-5-7-16(22)8-6-15/h5-8H,4,9-14H2,1-3H3InChIKey
CTUBSDMYWRJJCE-UHFFFAOYSA-NSynonyms
851938-37-97((4CHLOROPHENYL)METHYL)8((4ETHYLPIPERAZIN1YL)METHYL)13DIMETHYLPURINE26DIONE
7((4CHLOROPHENYL)METHYL)8((4ETHYLPIPERAZINYL)METHYL)13DIMETHYL137TRIHYDROPURINE26DIONE
7(4chlorobenzyl)8((4ethylpiperazin1yl)methyl)13dimethyl1Hpurine26(3H7H)dione
7(4chlorobenzyl)8((4ethylpiperazin1yl)methyl)13dimethyl37dihydro1Hpurine26dione
851938379
CCN1CCN(CC1)CC2=NC3=C(N2CC4=CC=C(C=C4)Cl)C(=O)N(C(=O)N3C)C
InChI=1SC21H27ClN6O2c142691127(121026)1417231918(20(29)25(3)21(30)24(19)2)28(17)13155716(22)8615h58H4914H213H3
MFCD04466339
ZINC000020533168
ZINC20533168
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