Vitas-M small molecule compound

7-benzyl-3-methyl-8-(prop-2-en-1-ylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK835106
SMILES C=CCSc1nc2c(n1Cc1ccccc1)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 C16H16N4O2S MW 328.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N4O2S/c1-3-9-23-16-17-13-12(14(21)18-15(22)19(13)2)20(16)10-11-7-5-4-6-8-11/h3-8H,1,9-10H2,2H3,(H,18,21,22)
InChIKey
YDYMANBUDKQOQW-UHFFFAOYSA-N
Synonyms
301354-25-6
301354256
3METHYL7BENZYL8PROP2ENYLTHIO137TRIHYDROPURINE26DIONE
7benzyl3methyl8(prop2en1ylsulfanyl)37dihydro1Hpurine26dione
7BENZYL3METHYL8PROP2ENYLSULFANYLPURINE26DIONE
8(ALLYLTHIO)7BENZYL3METHYL1HPURINE26(3H7H)DIONE
8ALLYLSULFANYL7BENZYL3METHYL37DIHYDROPURINE26DIONE
C=CCSc1nc2c(n1Cc1ccccc1)c(=O)(nH)c(=O)n2C
CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC=C)CC3=CC=CC=C3
InChI=1SC16H16N4O2Sc1392316171312(14(21)1815(22)19(13)2)20(16)10117546811h38H1910H22H3(H182122)
MFCD00612637
ZINC000012647930
ZINC12647930

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Available files

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