Vitas-M small molecule compound
7-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]-1,3-dimethyl-8-(4-methylpiperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK851416
SMILES CC1CCN(CC1)c1nc2c(n1CCSc1nc3c(o1)cccc3)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 C22H26N6O3S MW 454.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N6O3S/c1-14-8-10-27(11-9-14)20-24-18-17(19(29)26(3)22(30)25(18)2)28(20)12-13-32-21-23-15-6-4-5-7-16(15)31-21/h4-7,14H,8-13H2,1-3H3InChIKey
AZEIHPLUTGPGQX-UHFFFAOYSA-NSynonyms
850914-59-97(2(13benzoxazol2ylsulfanyl)ethyl)13dimethyl8(4methylpiperidin1yl)37dihydro1Hpurine26dione
7(2(13BENZOXAZOL2YLSULFANYL)ETHYL)13DIMETHYL8(4METHYLPIPERIDIN1YL)PURINE26DIONE
7(2(BENZO(D)OXAZOL2YLTHIO)ETHYL)13DIMETHYL8(4METHYLPIPERIDIN1YL)1HPURINE26(3H7H)DIONE
7(2BENZOXAZOL2YLTHIOETHYL)13DIMETHYL8(4METHYLPIPERIDYL)137TRIHYDROPURINE26DIONE
850914599
CC1CCN(CC1)C2=NC3=C(N2CCSC4=NC5=CC=CC=C5O4)C(=O)N(C(=O)N3C)C
InChI=1SC22H26N6O3Sc11481027(11914)20241817(19(29)26(3)22(30)25(18)2)28(20)121332212315645716(15)3121h4714H813H213H3
MFCD04456931
ZINC000017440269
ZINC17440269
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