Vitas-M small molecule compound

8-[(3-hydroxypropyl)sulfanyl]-1,3-dimethyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STL005486
SMILES OCCCSc1nc2c(n1Cc1ccc(cc1)C)c(=O)n(c(=O)n2C)C

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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 C18H22N4O3S MW 374.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N4O3S/c1-12-5-7-13(8-6-12)11-22-14-15(19-17(22)26-10-4-9-23)20(2)18(25)21(3)16(14)24/h5-8,23H,4,9-11H2,1-3H3
InChIKey
YPVDZYIDYYBYNL-UHFFFAOYSA-N
Synonyms
476480-01-0
476480010
8((3hydroxypropyl)sulfanyl)13dimethyl7(4methylbenzyl)37dihydro1Hpurine26dione
8((3HYDROXYPROPYL)THIO)13DIMETHYL7(4METHYLBENZYL)1HPURINE26(3H7H)DIONE
8(3HYDROXYPROPYLSULFANYL)13DIMETHYL7((4METHYLPHENYL)METHYL)PURINE26DIONE
8(3HYDROXYPROPYLTHIO)13DIMETHYL7((4METHYLPHENYL)METHYL)137TRIHYDROPURINE26DIONE
CC1=CC=C(C=C1)CN2C3=C(N=C2SCCCO)N(C(=O)N(C3=O)C)C
InChI=1SC18H22N4O3Sc1125713(8612)11221415(1917(22)26104923)20(2)18(25)21(3)16(14)24h5823H4911H213H3
MFCD03933543
ZINC000002430215
ZINC02430215
ZINC2430215

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Available files

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