Vitas-M small molecule compound
7-benzyl-8-[(2E)-but-2-en-1-ylsulfanyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK536286
SMILES C/C=C/CSc1nc2c(n1Cc1ccccc1)c(=O)n(c(=O)n2C)C
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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 C18H20N4O2S MW 356.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20N4O2S/c1-4-5-11-25-17-19-15-14(16(23)21(3)18(24)20(15)2)22(17)12-13-9-7-6-8-10-13/h4-10H,11-12H2,1-3H3/b5-4+InChIKey
CHHZRFNKAMFSFL-SNAWJCMRSA-NSynonyms
374101-51-6(E)7benzyl8(but2en1ylthio)13dimethyl1Hpurine26(3H7H)dione
374101516
7benzyl8((2E)but2en1ylsulfanyl)13dimethyl37dihydro1Hpurine26dione
7BENZYL8((E)BUT2ENYL)SULFANYL13DIMETHYLPURINE26DIONE
7BENZYL8BUT2ENYLSULFANYL13DIMETHYL37DIHYDROPURINE26DIONE
8((2E)BUT2ENYLTHIO)13DIMETHYL7BENZYL137TRIHYDROPURINE26DIONE
CC=CCSC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2C)C
CC=CCSc1nc2c(n1Cc1ccccc1)c(=O)n(c(=O)n2C)C
InChI=1SC18H20N4O2Sc145112517191514(16(23)21(3)18(24)20(15)2)22(17)121397681013h410H1112H213H3b54+
MFCD01952323
ZINC000012647655
ZINC12647655
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