Vitas-M small molecule compound
8-[(2E)-but-2-en-1-ylsulfanyl]-7-(2-methoxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK833587
SMILES COCCn1c(SC/C=C/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 C13H18N4O3S MW 310.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H18N4O3S/c1-4-5-8-21-13-14-10-9(17(13)6-7-20-3)11(18)15-12(19)16(10)2/h4-5H,6-8H2,1-3H3,(H,15,18,19)/b5-4+InChIKey
ZAHZJQDWCFNMSU-SNAWJCMRSA-NSynonyms
333768-93-7(E)8(but2en1ylthio)7(2methoxyethyl)3methyl1Hpurine26(3H7H)dione
333768937
8((2E)but2en1ylsulfanyl)7(2methoxyethyl)3methyl37dihydro1Hpurine26dione
8((2E)BUT2ENYLTHIO)7(2METHOXYETHYL)3METHYL137TRIHYDROPURINE26DIONE
8((E)BUT2ENYL)SULFANYL7(2METHOXYETHYL)3METHYLPURINE26DIONE
8BUT2ENYLSULFANYL7(2METHOXYETHYL)3METHYL37DIHYDROPURINE26DIONE
CC=CCSC1=NC2=C(N1CCOC)C(=O)NC(=O)N2C
COCCn1c(SCC=CC)nc2c1c(=O)(nH)c(=O)n2C
InChI=1SC13H18N4O3Sc1458211314109(17(13)67203)11(18)1512(19)16(10)2h45H68H213H3(H151819)b54+
MFCD01815903
ZINC000012647456
ZINC12647456
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