Vitas-M small molecule compound

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

Catalog ID
STK030176
SMILES C=CCSc1nc2c(n1C(C)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 C12H16N4O2S MW 280.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H16N4O2S/c1-5-6-19-12-13-9-8(16(12)7(2)3)10(17)14-11(18)15(9)4/h5,7H,1,6H2,2-4H3,(H,14,17,18)
InChIKey
DDPYTCQTBNNOAN-UHFFFAOYSA-N
Synonyms
326919-21-5
326919215
3METHYL7(PROPAN2YL)8(PROP2EN1YLSULFANYL)37DIHYDRO1HPURINE26DIONE
3METHYL7PROPAN2YL8(PROP2ENYLTHIO)PURINE26DIONE
3METHYL7PROPAN2YL8PROP2ENYLSULFANYLPURINE26DIONE
6HYDROXY3METHYL7(PROPAN2YL)8(PROP2EN1YLSULFANYL)37DIHYDRO2HPURIN2ONE
8(ALLYLSULFANYL)7ISOPROPYL3METHYL37DIHYDRO1HPURINE26DIONE
8(allylthio)7isopropyl3methyl1Hpurine26(3H7H)dione
8(ALLYLTHIO)7ISOPROPYL3METHYLXANTHINE
8ALLYLSULFANYL7ISOPROPYL3METHYL37DIHYDROPURINE26DIONE
C=CCSc1nc2c(n1C(C)C)c(=O)(nH)c(=O)n2C
CC(C)N1C2=C(N=C1SCC=C)N(C(=O)NC2=O)C
InChI=1SC12H16N4O2Sc15619121398(16(12)7(2)3)10(17)1411(18)15(9)4h57H16H224H3(H141718)
MFCD01032103
STK030176
ZINC02057284
ZINC2057284

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Available files

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