Vitas-M small molecule compound

7-butyl-8-{[(2Z)-3-chlorobut-2-en-1-yl]sulfanyl}-3-methyl-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK078432
SMILES CCCCn1c(SC/C=C(\Cl)/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 C14H19ClN4O2S MW 342.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H19ClN4O2S/c1-4-5-7-19-10-11(18(3)13(21)17-12(10)20)16-14(19)22-8-6-9(2)15/h6H,4-5,7-8H2,1-3H3,(H,17,20,21)/b9-6-
InChIKey
PRLKHSKACRDFGY-TWGQIWQCSA-N
Synonyms
303968-93-6
(Z)7butyl8((3chlorobut2en1yl)thio)3methyl1Hpurine26(3H7H)dione
303968936
7BUTYL8(((2Z)3CHLOROBUT2EN1YL)SULFANYL)3METHYL37DIHYDRO1HPURINE26DIONE
7BUTYL8((Z)3CHLOROBUT2ENYL)SULFANYL3METHYLPURINE26DIONE
7BUTYL8(3CHLOROBUT2ENYLSULFANYL)3METHYL37DIHYDROPURINE26DIONE
CCCCn1c(SCC=C(Cl)C)nc2c1c(=O)(nH)c(=O)n2C
CCCCN1C2=C(N=C1SCC=C(C)Cl)N(C(=O)NC2=O)C
InChI=1SC14H19ClN4O2Sc1457191011(18(3)13(21)1712(10)20)1614(19)22869(2)15h6H4578H213H3(H172021)b96
MFCD01554356
STK078432
ZINC000012411013
ZINC12411013

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Available files

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