Vitas-M small molecule compound
8-{[(2E)-3-chlorobut-2-en-1-yl]sulfanyl}-3-methyl-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK834225
SMILES C=CCn1c(SC/C=C(/Cl)\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 C13H15ClN4O2S MW 326.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H15ClN4O2S/c1-4-6-18-9-10(17(3)12(20)16-11(9)19)15-13(18)21-7-5-8(2)14/h4-5H,1,6-7H2,2-3H3,(H,16,19,20)/b8-5+InChIKey
DKWBVYFKPFEMOD-VMPITWQZSA-NSynonyms
313552-34-0(E)7allyl8((3chlorobut2en1yl)thio)3methyl1Hpurine26(3H7H)dione
313552340
8(((2E)3chlorobut2en1yl)sulfanyl)3methyl7(prop2en1yl)37dihydro1Hpurine26dione
8((E)3CHLOROBUT2ENYL)SULFANYL3METHYL7PROP2ENYLPURINE26DIONE
C=CCn1c(SCC=C(Cl)C)nc2c1c(=O)(nH)c(=O)n2C
CC(=CCSC1=NC2=C(N1CC=C)C(=O)NC(=O)N2C)Cl
InChI=1SC13H15ClN4O2Sc14618910(17(3)12(20)1611(9)19)1513(18)21758(2)14h45H167H223H3(H161920)b85+
MFCD01557691
ZINC000013739409
ZINC13739409
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