Vitas-M small molecule compound

3-methyl-8-[(4-methylbenzyl)sulfanyl]-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK840117
SMILES C=CCn1c(SCc2ccc(cc2)C)nc2c1c(=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 C17H18N4O2S MW 342.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18N4O2S/c1-4-9-21-13-14(20(3)16(23)19-15(13)22)18-17(21)24-10-12-7-5-11(2)6-8-12/h4-8H,1,9-10H2,2-3H3,(H,19,22,23)
InChIKey
YTCOAKPNLWIBQT-UHFFFAOYSA-N
Synonyms
378204-13-8
378204138
3methyl8((4methylbenzyl)sulfanyl)7(prop2en1yl)37dihydro1Hpurine26dione
3METHYL8((4METHYLPHENYL)METHYLSULFANYL)7PROP2ENYLPURINE26DIONE
3METHYL8((4METHYLPHENYL)METHYLTHIO)7PROP2ENYL137TRIHYDROPURINE26DIONE
7ALLYL3METHYL8((4METHYLBENZYL)THIO)1HPURINE26(3H7H)DIONE
C=CCn1c(SCc2ccc(cc2)C)nc2c1c(=O)(nH)c(=O)n2C
CC1=CC=C(C=C1)CSC2=NC3=C(N2CC=C)C(=O)NC(=O)N3C
InChI=1SC17H18N4O2Sc149211314(20(3)16(23)1915(13)22)1817(21)2410127511(2)6812h48H1910H223H3(H192223)
MFCD02984664
ZINC000000079507
ZINC00079507
ZINC79507

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Available files

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