Vitas-M small molecule compound
8-(4-benzylpiperidin-1-yl)-1,3-dimethyl-7-{2-[(4-methylpyrimidin-2-yl)sulfanyl]ethyl}-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK589971
SMILES Cc1ccnc(n1)SCCn1c(nc2c1c(=O)n(c(=O)n2C)C)N1CCC(CC1)Cc1ccccc1
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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 C26H31N7O2S MW 505.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31N7O2S/c1-18-9-12-27-24(28-18)36-16-15-33-21-22(30(2)26(35)31(3)23(21)34)29-25(33)32-13-10-20(11-14-32)17-19-7-5-4-6-8-19/h4-9,12,20H,10-11,13-17H2,1-3H3InChIKey
HTDSXWGUKHSYTM-UHFFFAOYSA-NSynonyms
896853-48-813DIMETHYL7(2(4METHYLPYRIMIDIN2YLTHIO)ETHYL)8(4BENZYLPIPERIDYL)137TRIHYDROPURINE26DIONE
8(4benzylpiperidin1yl)13dimethyl7(2((4methylpyrimidin2yl)sulfanyl)ethyl)37dihydro1Hpurine26dione
8(4benzylpiperidin1yl)13dimethyl7(2((4methylpyrimidin2yl)thio)ethyl)1Hpurine26(3H7H)dione
8(4BENZYLPIPERIDIN1YL)13DIMETHYL7(2(4METHYLPYRIMIDIN2YL)SULFANYLETHYL)PURINE26DIONE
896853488
CC1=NC(=NC=C1)SCCN2C3=C(N=C2N4CCC(CC4)CC5=CC=CC=C5)N(C(=O)N(C3=O)C)C
InChI=1SC26H31N7O2Sc1189122724(2818)361615332122(30(2)26(35)31(3)23(21)34)2925(33)32131020(111432)17197546819h491220H10111317H213H3
MFCD06602944
ZINC000008794681
ZINC08794681
ZINC8794681
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