Vitas-M small molecule compound
7-benzyl-8-[(2,3-dihydroxypropyl)sulfanyl]-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one
Catalog ID
STK566530
SMILES OCC(CSc1nc2c(n1Cc1ccccc1)c(O)nc(=O)n2C)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 C16H18N4O4S MW 362.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N4O4S/c1-19-13-12(14(23)18-15(19)24)20(7-10-5-3-2-4-6-10)16(17-13)25-9-11(22)8-21/h2-6,11,21-22H,7-9H2,1H3,(H,18,23,24)InChIKey
YNPUAGSXGQHUGK-UHFFFAOYSA-NSynonyms
378198-70-0378198700
7benzyl8((23dihydroxypropyl)sulfanyl)6hydroxy3methyl37dihydro2Hpurin2one
7BENZYL8((23DIHYDROXYPROPYL)THIO)3METHYL1HPURINE26(3H7H)DIONE
7BENZYL8(23DIHYDROXYPROPYLSULFANYL)3METHYL37DIHYDROPURINE26DIONE
7BENZYL8(23DIHYDROXYPROPYLSULFANYL)3METHYLPURINE26DIONE
8(23DIHYDROXYPROPYLTHIO)3METHYL7BENZYL137TRIHYDROPURINE26DIONE
CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(CO)O)CC3=CC=CC=C3
InChI=1SC16H18N4O4Sc1191312(14(23)1815(19)24)20(7105324610)16(1713)25911(22)821h26112122H79H21H3(H182324)
MFCD03794661
ZINC000000637673
ZINC000000637678
ZINC00637673
ZINC00637678
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