Vitas-M small molecule compound

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

Catalog ID
STK839948
SMILES C=CCn1c(SCC(CO)O)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 C12H16N4O4S MW 312.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H16N4O4S/c1-3-4-16-8-9(15(2)11(20)14-10(8)19)13-12(16)21-6-7(18)5-17/h3,7,17-18H,1,4-6H2,2H3,(H,14,19,20)
InChIKey
WEWKWEHLJIFTFE-UHFFFAOYSA-N
Synonyms
378204-14-9
378204149
7ALLYL8((23DIHYDROXYPROPYL)THIO)3METHYL1HPURINE26(3H7H)DIONE
7ALLYL8(23DIHYDROXYPROPYLSULFANYL)3METHYL37DIHYDROPURINE26DIONE
8((23dihydroxypropyl)sulfanyl)3methyl7(prop2en1yl)37dihydro1Hpurine26dione
8(23DIHYDROXYPROPYLSULFANYL)3METHYL7PROP2ENYLPURINE26DIONE
8(23DIHYDROXYPROPYLTHIO)3METHYL7PROP2ENYL137TRIHYDROPURINE26DIONE
C=CCn1c(SCC(CO)O)nc2c1c(=O)(nH)c(=O)n2C
CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(CO)O)CC=C
InChI=1SC12H16N4O4Sc1341689(15(2)11(20)1410(8)19)1312(16)2167(18)517h371718H146H22H3(H141920)
MFCD02984402
ZINC000000079517
ZINC000000079520

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Available files

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