Vitas-M small molecule compound

1,3-dimethyl-7-(3-methylbenzyl)-8-(propan-2-ylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK840837
SMILES Cc1cccc(c1)Cn1c(SC(C)C)nc2c1c(=O)n(C)c(=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 C18H22N4O2S MW 358.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N4O2S/c1-11(2)25-17-19-15-14(16(23)21(5)18(24)20(15)4)22(17)10-13-8-6-7-12(3)9-13/h6-9,11H,10H2,1-5H3
InChIKey
FDUKXSMYZQERNW-UHFFFAOYSA-N
Synonyms
378198-72-2
13DIMETHYL7((3METHYLPHENYL)METHYL)8PROPAN2YLSULFANYLPURINE26DIONE
13dimethyl7(3methylbenzyl)8(propan2ylsulfanyl)37dihydro1Hpurine26dione
13DIMETHYL8(METHYLETHYLTHIO)7((3METHYLPHENYL)METHYL)137TRIHYDROPURINE26DIONE
378198722
8(ISOPROPYLTHIO)13DIMETHYL7(3METHYLBENZYL)1HPURINE26(3H7H)DIONE
CC1=CC(=CC=C1)CN2C3=C(N=C2SC(C)C)N(C(=O)N(C3=O)C)C
InChI=1SC18H22N4O2Sc111(2)2517191514(16(23)21(5)18(24)20(15)4)22(17)101386712(3)913h6911H10H215H3
MFCD02736214
ZINC000000629320
ZINC00629320
ZINC629320

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Available files

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