Vitas-M small molecule compound

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

Catalog ID
STK527770
SMILES C/C=C/CSc1nc2c(n1C(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 C13H18N4O2S MW 294.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H18N4O2S/c1-5-6-7-20-13-14-10-9(17(13)8(2)3)11(18)15-12(19)16(10)4/h5-6,8H,7H2,1-4H3,(H,15,18,19)/b6-5+
InChIKey
NXLUZKPLJDYDGQ-AATRIKPKSA-N
Synonyms
1164468-98-7
(E)8(but2en1ylthio)7isopropyl3methyl1Hpurine26(3H7H)dione
1164468987
8(((E)BUT2ENYL)SULFANYL)7ISOPROPYL3METHYL37DIHYDROPURINE26DIONE
8((2E)but2en1ylsulfanyl)3methyl7(propan2yl)37dihydro1Hpurine26dione
8((2E)BUT2ENYLTHIO)3METHYL7(METHYLETHYL)137TRIHYDROPURINE26DIONE
8((E)BUT2ENYL)SULFANYL3METHYL7PROPAN2YLPURINE26DIONE
8BUT2ENYLSULFANYL7ISOPROPYL3METHYL37DIHYDROPURINE26DIONE
CC=CCSC1=NC2=C(N1C(C)C)C(=O)NC(=O)N2C
CC=CCSc1nc2c(n1C(C)C)c(=O)(nH)c(=O)n2C
InChI=1SC13H18N4O2Sc1567201314109(17(13)8(2)3)11(18)1512(19)16(10)4h568H7H214H3(H151819)b65+
MFCD01876912
ZINC000013124198
ZINC13124198

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Available files

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