Vitas-M small molecule compound

7-butyl-8-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK585572
SMILES CCCCn1c(CN2CCN(CC2)c2cc(Cl)ccc2C)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 C23H31ClN6O2 MW 458.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H31ClN6O2/c1-5-6-9-30-19(25-21-20(30)22(31)27(4)23(32)26(21)3)15-28-10-12-29(13-11-28)18-14-17(24)8-7-16(18)2/h7-8,14H,5-6,9-13,15H2,1-4H3
InChIKey
RUTOLRFUTGGUBS-UHFFFAOYSA-N
Synonyms
893945-66-9
7butyl8((4(5chloro2methylphenyl)piperazin1yl)methyl)13dimethyl1Hpurine26(3H7H)dione
7butyl8((4(5chloro2methylphenyl)piperazin1yl)methyl)13dimethyl37dihydro1Hpurine26dione
7BUTYL8((4(5CHLORO2METHYLPHENYL)PIPERAZIN1YL)METHYL)13DIMETHYLPURINE26DIONE
7BUTYL8((4(5CHLORO2METHYLPHENYL)PIPERAZINYL)METHYL)13DIMETHYL137TRIHYDROPURINE26DIONE
893945669
CCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C4=C(C=CC(=C4)Cl)C
InChI=1SC23H31ClN6O2c15693019(252120(30)22(31)27(4)23(32)26(21)3)1528101229(131128)181417(24)8716(18)2h7814H5691315H214H3
MFCD06606445
ZINC000055558678
ZINC55558678

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Available files

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