Vitas-M small molecule compound
7-benzyl-8-[(3-chloro-2-hydroxypropyl)sulfanyl]-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one
Catalog ID
STK639151
SMILES ClCC(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 C16H17ClN4O3S MW 380.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17ClN4O3S/c1-20-13-12(14(23)19-15(20)24)21(8-10-5-3-2-4-6-10)16(18-13)25-9-11(22)7-17/h2-6,11,22H,7-9H2,1H3,(H,19,23,24)InChIKey
HSOHDYCEDAOJEM-UHFFFAOYSA-NSynonyms
327170-76-3327170763
7benzyl8((3chloro2hydroxypropyl)sulfanyl)6hydroxy3methyl37dihydro2Hpurin2one
7BENZYL8(3CHLORO2HYDROXYPROPYL)SULFANYL3METHYLPURINE26DIONE
7BENZYL8(3CHLORO2HYDROXYPROPYLSULFANYL)3METHYL37DIHYDROPURINE26DIONE
8(3CHLORO2HYDROXYPROPYLTHIO)3METHYL7BENZYL137TRIHYDROPURINE26DIONE
CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(CCl)O)CC3=CC=CC=C3
InChI=1SC16H17ClN4O3Sc1201312(14(23)1915(20)24)21(8105324610)16(1813)25911(22)717h261122H79H21H3(H192324)
MFCD18161912
ZINC000000678512
ZINC000000678514
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