Vitas-M small molecule compound

8-(ethylsulfanyl)-3-methyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK006212
SMILES CCSc1nc2c(n1Cc1ccc(cc1)C)c(=O)[nH]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 C16H18N4O2S MW 330.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N4O2S/c1-4-23-16-17-13-12(14(21)18-15(22)19(13)3)20(16)9-11-7-5-10(2)6-8-11/h5-8H,4,9H2,1-3H3,(H,18,21,22)
InChIKey
RVVMICHUSLXPJC-UHFFFAOYSA-N
Synonyms
303970-25-4
303970254
8(ETHYLSULFANYL)3METHYL7(4METHYLBENZYL)37DIHYDRO1HPURINE26DIONE
8(ETHYLTHIO)3METHYL7(4METHYLBENZYL)1HPURINE26(3H7H)DIONE
8ETHYLSULFANYL3METHYL7((4METHYLPHENYL)METHYL)PURINE26DIONE
8ETHYLSULFANYL3METHYL7(4METHYLBENZYL)37DIHYDROPURINE26DIONE
8ETHYLTHIO3METHYL7((4METHYLPHENYL)METHYL)137TRIHYDROPURINE26DIONE
CCSC1=NC2=C(N1CC3=CC=C(C=C3)C)C(=O)NC(=O)N2C
CCSc1nc2c(n1Cc1ccc(cc1)C)c(=O)(nH)c(=O)n2C
InChI=1SC16H18N4O2Sc142316171312(14(21)1815(22)19(13)3)20(16)9117510(2)6811h58H49H213H3(H182122)
MFCD01555112
STK006212
ZINC000000042829
ZINC00042829
ZINC42829

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.