Vitas-M small molecule compound
8-(azepan-1-yl)-7-[3-(1,3-benzoxazol-2-ylsulfanyl)propyl]-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one
Catalog ID
STL044811
SMILES Cn1c(=O)nc(c2c1nc(n2CCCSc1nc2c(o1)cccc2)N1CCCCCC1)O
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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/c1-26-18-17(19(29)25-21(26)30)28(20(24-18)27-11-6-2-3-7-12-27)13-8-14-32-22-23-15-9-4-5-10-16(15)31-22/h4-5,9-10H,2-3,6-8,11-14H2,1H3,(H,25,29,30)InChIKey
HSUGOXXRYWVXCN-UHFFFAOYSA-NSynonyms
672920-49-9672920499
8(AZEPAN1YL)7(3(13BENZOXAZOL2YLSULFANYL)PROPYL)3METHYLPURINE26DIONE
8(azepan1yl)7(3(13benzoxazol2ylsulfanyl)propyl)6hydroxy3methyl37dihydro2Hpurin2one
8AZAPERHYDROEPINYL7(3BENZOXAZOL2YLTHIOPROPYL)3METHYL137TRIHYDROPURINE26DIONE
CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCCC3)CCCSC4=NC5=CC=CC=C5O4
InChI=1SC22H26N6O3Sc1261817(19(29)2521(26)30)28(20(2418)271162371227)13814322223159451016(15)3122h45910H23681114H21H3(H252930)
MFCD04077912
ZINC000001850840
ZINC01850840
ZINC1850840
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