Vitas-M small molecule compound
8-[(2E)-but-2-en-1-ylsulfanyl]-7-(4-chlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STL006875
SMILES C/C=C/CSc1nc2c(n1Cc1ccc(cc1)Cl)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 C18H19ClN4O2S MW 390.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19ClN4O2S/c1-4-5-10-26-17-20-15-14(16(24)22(3)18(25)21(15)2)23(17)11-12-6-8-13(19)9-7-12/h4-9H,10-11H2,1-3H3/b5-4+InChIKey
BYXWORKOAMYVID-SNAWJCMRSA-NSynonyms
478252-50-5(E)8(but2en1ylthio)7(4chlorobenzyl)13dimethyl1Hpurine26(3H7H)dione
478252505
8((2E)but2en1ylsulfanyl)7(4chlorobenzyl)13dimethyl37dihydro1Hpurine26dione
8((2E)BUT2ENYLTHIO)7((4CHLOROPHENYL)METHYL)13DIMETHYL137TRIHYDROPURINE26DIONE
8((E)BUT2ENYL)SULFANYL7((4CHLOROPHENYL)METHYL)13DIMETHYLPURINE26DIONE
8(BUT2EN1YLTHIO)7(4CHLOROBENZYL)13DIMETHYL1HPURINE26(3H7H)DIONE
CC=CCSC1=NC2=C(N1CC3=CC=C(C=C3)Cl)C(=O)N(C(=O)N2C)C
CC=CCSc1nc2c(n1Cc1ccc(cc1)Cl)c(=O)n(c(=O)n2C)C
InChI=1SC18H19ClN4O2Sc145102617201514(16(24)22(3)18(25)21(15)2)23(17)11126813(19)9712h49H1011H213H3b54+
MFCD03933529
ZINC000013470515
ZINC13470515
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