Vitas-M small molecule compound
7-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]-8-[benzyl(methyl)amino]-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one
Catalog ID
STK571884
SMILES CN(c1nc2c(n1CCSc1nc3c(o1)cccc3)c(O)nc(=O)n2C)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 C23H22N6O3S MW 462.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N6O3S/c1-27(14-15-8-4-3-5-9-15)21-25-19-18(20(30)26-22(31)28(19)2)29(21)12-13-33-23-24-16-10-6-7-11-17(16)32-23/h3-11H,12-14H2,1-2H3,(H,26,30,31)InChIKey
VEVFMSJDNYVCGX-UHFFFAOYSA-NSynonyms
850914-48-67(2(13BENZOXAZOL2YLSULFANYL)ETHYL)8(BENZYL(METHYL)AMINO)3METHYLPURINE26DIONE
7(2(13benzoxazol2ylsulfanyl)ethyl)8(benzyl(methyl)amino)6hydroxy3methyl37dihydro2Hpurin2one
7(2(BENZO(D)OXAZOL2YLTHIO)ETHYL)8(BENZYL(METHYL)AMINO)3METHYL1HPURINE26(3H7H)DIONE
7(2BENZOXAZOL2YLTHIOETHYL)3METHYL8(METHYLBENZYLAMINO)137TRIHYDROPURINE26DIONE
850914486
CN1C2=C(C(=O)NC1=O)N(C(=N2)N(C)CC3=CC=CC=C3)CCSC4=NC5=CC=CC=C5O4
InChI=1SC23H22N6O3Sc127(14158435915)21251918(20(30)2622(31)28(19)2)29(21)12133323241610671117(16)3223h311H1214H212H3(H263031)
MFCD07203070
ZINC000009111009
ZINC09111009
ZINC9111009
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