Vitas-M small molecule compound
8-{[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]sulfonyl}-1,3,9-trimethyl-3,9-dihydro-1H-purine-2,6-dione
Catalog ID
STK897611
SMILES O=C(N1CCC(CC1)Cc1ccccc1)CCS(=O)(=O)c1nc2c(n1C)n(C)c(=O)n(c2=O)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 C23H29N5O5S MW 487.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H29N5O5S/c1-25-20-19(21(30)27(3)23(31)26(20)2)24-22(25)34(32,33)14-11-18(29)28-12-9-17(10-13-28)15-16-7-5-4-6-8-16/h4-8,17H,9-15H2,1-3H3InChIKey
USVOTNFAGJZPAK-UHFFFAOYSA-NSynonyms
8((3(4benzylpiperidin1yl)3oxopropyl)sulfonyl)139trimethyl39dihydro1Hpurine26dione
8(3(4benzylpiperidin1yl)3oxopropyl)sulfonyl139trimethylpurine26dione
CN1C2=C(C(=O)N(C(=O)N2C)C)N=C1S(=O)(=O)CCC(=O)N3CCC(CC3)CC4=CC=CC=C4
InChI=1SC23H29N5O5Sc1252019(21(30)27(3)23(31)26(20)2)2422(25)34(3233)141118(29)2812917(101328)15167546816h4817H915H213H3
MFCD15147725
ZINC000033274160
ZINC33274160
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