Vitas-M small molecule compound

7-butyl-8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK591906
SMILES CCCCn1c(CN2CCN(CC2)c2ccc(cc2)F)nc2c1c(=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 C22H29FN6O2 MW 428.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H29FN6O2/c1-4-5-10-29-18(24-20-19(29)21(30)26(3)22(31)25(20)2)15-27-11-13-28(14-12-27)17-8-6-16(23)7-9-17/h6-9H,4-5,10-15H2,1-3H3
InChIKey
MDAWBJRDTCDYMC-UHFFFAOYSA-N
Synonyms
851937-68-3
7butyl8((4(4fluorophenyl)piperazin1yl)methyl)13dimethyl1Hpurine26(3H7H)dione
7butyl8((4(4fluorophenyl)piperazin1yl)methyl)13dimethyl37dihydro1Hpurine26dione
7BUTYL8((4(4FLUOROPHENYL)PIPERAZIN1YL)METHYL)13DIMETHYLPURINE26DIONE
7BUTYL8((4(4FLUOROPHENYL)PIPERAZINYL)METHYL)13DIMETHYL137TRIHYDROPURINE26DIONE
851937683
CCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C4=CC=C(C=C4)F
InChI=1SC22H29FN6O2c145102918(242019(29)21(30)26(3)22(31)25(20)2)1527111328(141227)178616(23)7917h69H451015H213H3
MFCD04466268
ZINC000096305234
ZINC96305234

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Available files

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