Vitas-M small molecule compound

8-[(2E)-but-2-en-1-ylsulfanyl]-3-methyl-7-(3-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK527482
SMILES C/C=C/CSc1nc2c(n1Cc1cccc(c1)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 C18H20N4O2S MW 356.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20N4O2S/c1-4-5-9-25-18-19-15-14(16(23)20-17(24)21(15)3)22(18)11-13-8-6-7-12(2)10-13/h4-8,10H,9,11H2,1-3H3,(H,20,23,24)/b5-4+
InChIKey
KFOLJHIBUCPNKO-SNAWJCMRSA-N
Synonyms
317840-25-8
(E)8(but2en1ylthio)3methyl7(3methylbenzyl)1Hpurine26(3H7H)dione
317840258
8((2E)but2en1ylsulfanyl)3methyl7(3methylbenzyl)37dihydro1Hpurine26dione
8((2E)BUT2ENYLTHIO)3METHYL7((3METHYLPHENYL)METHYL)137TRIHYDROPURINE26DIONE
8((E)BUT2ENYL)SULFANYL3METHYL7((3METHYLPHENYL)METHYL)PURINE26DIONE
8BUT2ENYLSULFANYL3METHYL7(3METHYLBENZYL)37DIHYDROPURINE26DIONE
CC=CCSC1=NC2=C(N1CC3=CC=CC(=C3)C)C(=O)NC(=O)N2C
CC=CCSc1nc2c(n1Cc1cccc(c1)C)c(=O)(nH)c(=O)n2C
InChI=1SC18H20N4O2Sc14592518191514(16(23)2017(24)21(15)3)22(18)111386712(2)1013h4810H911H213H3(H202324)b54+
MFCD01186457
ZINC000012647478
ZINC12647478

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Available files

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