Vitas-M small molecule compound
8-[(2E)-but-2-en-1-ylsulfanyl]-1,3-dimethyl-7-(3-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK540604
SMILES C/C=C/CSc1nc2c(n1Cc1cccc(c1)C)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 C19H22N4O2S MW 370.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22N4O2S/c1-5-6-10-26-18-20-16-15(17(24)22(4)19(25)21(16)3)23(18)12-14-9-7-8-13(2)11-14/h5-9,11H,10,12H2,1-4H3/b6-5+InChIKey
DUXPGFBCGRQTKG-AATRIKPKSA-NSynonyms
371117-44-1(E)8(but2en1ylthio)13dimethyl7(3methylbenzyl)1Hpurine26(3H7H)dione
371117441
8((2E)but2en1ylsulfanyl)13dimethyl7(3methylbenzyl)37dihydro1Hpurine26dione
8((2E)BUT2ENYLTHIO)13DIMETHYL7((3METHYLPHENYL)METHYL)137TRIHYDROPURINE26DIONE
8((E)BUT2ENYL)SULFANYL13DIMETHYL7((3METHYLPHENYL)METHYL)PURINE26DIONE
CC=CCSC1=NC2=C(N1CC3=CC=CC(=C3)C)C(=O)N(C(=O)N2C)C
CC=CCSc1nc2c(n1Cc1cccc(c1)C)c(=O)n(c(=O)n2C)C
InChI=1SC19H22N4O2Sc156102618201615(17(24)22(4)19(25)21(16)3)23(18)121497813(2)1114h5911H1012H214H3b65+
MFCD03007594
ZINC000012377499
ZINC12377499
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