Vitas-M small molecule compound

7-benzyl-6-hydroxy-8-[(3-hydroxypropyl)sulfanyl]-3-methyl-3,7-dihydro-2H-purin-2-one

Catalog ID
STK561239
SMILES OCCCSc1nc2c(n1Cc1ccccc1)c(O)nc(=O)n2C

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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 C16H18N4O3S MW 346.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N4O3S/c1-19-13-12(14(22)18-15(19)23)20(10-11-6-3-2-4-7-11)16(17-13)24-9-5-8-21/h2-4,6-7,21H,5,8-10H2,1H3,(H,18,22,23)
InChIKey
AIQDTDXMVNUHIW-UHFFFAOYSA-N
Synonyms
487037-76-3
487037763
7benzyl6hydroxy8((3hydroxypropyl)sulfanyl)3methyl37dihydro2Hpurin2one
7BENZYL8((3HYDROXYPROPYL)THIO)3METHYL1HPURINE26(3H7H)DIONE
7BENZYL8(3HYDROXYPROPYLSULFANYL)3METHYL37DIHYDROPURINE26DIONE
7BENZYL8(3HYDROXYPROPYLSULFANYL)3METHYLPURINE26DIONE
8(3HYDROXYPROPYLTHIO)3METHYL7BENZYL137TRIHYDROPURINE26DIONE
CN1C2=C(C(=O)NC1=O)N(C(=N2)SCCCO)CC3=CC=CC=C3
InChI=1SC16H18N4O3Sc1191312(14(22)1815(19)23)20(10116324711)16(1713)2495821h246721H5810H21H3(H182223)
MFCD03815567
ZINC000002324099
ZINC02324099
ZINC2324099

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Available files

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