Vitas-M small molecule compound

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

Catalog ID
STK806228
SMILES CCCCSc1nc2c(n1C/C=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 C14H20N4O2S MW 308.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H20N4O2S/c1-4-6-8-18-10-11(15-14(18)21-9-7-5-2)17(3)13(20)16-12(10)19/h4,6H,5,7-9H2,1-3H3,(H,16,19,20)/b6-4+
InChIKey
SPKJCAJGBDPIOK-GQCTYLIASA-N
Synonyms
305864-72-6
(E)7(but2en1yl)8(butylthio)3methyl1Hpurine26(3H7H)dione
305864726
7((2E)but2en1yl)8(butylsulfanyl)3methyl37dihydro1Hpurine26dione
7((2E)BUT2ENYL)8BUTYLTHIO3METHYL137TRIHYDROPURINE26DIONE
7((E)BUT2ENYL)8BUTYLSULFANYL3METHYLPURINE26DIONE
CCCCSC1=NC2=C(N1CC=CC)C(=O)NC(=O)N2C
CCCCSc1nc2c(n1CC=CC)c(=O)(nH)c(=O)n2C
InChI=1SC14H20N4O2Sc1468181011(1514(18)219752)17(3)13(20)1612(10)19h46H579H213H3(H161920)b64+
MFCD01553820
ZINC000012647501
ZINC12647501

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Available files

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