Vitas-M small molecule compound
7-[(2E)-3-chlorobut-2-en-1-yl]-3-methyl-8-(methylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK840016
SMILES CSc1nc2c(n1C/C=C(/Cl)\C)c(=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 C11H13ClN4O2S MW 300.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H13ClN4O2S/c1-6(12)4-5-16-7-8(13-11(16)19-3)15(2)10(18)14-9(7)17/h4H,5H2,1-3H3,(H,14,17,18)/b6-4+InChIKey
PXNFOBAFXUEBBN-GQCTYLIASA-NSynonyms
1164545-30-5(E)7(3chlorobut2en1yl)3methyl8(methylthio)1Hpurine26(3H7H)dione
1164545305
7((2E)3chlorobut2en1yl)3methyl8(methylsulfanyl)37dihydro1Hpurine26dione
7((E)3CHLOROBUT2ENYL)3METHYL8METHYLSULFANYLPURINE26DIONE
7(3CHLORO2BUTENYL)3METHYL8(METHYLSULFANYL)37DIHYDRO1HPURINE26DIONE
CC(=CCN1C2=C(N=C1SC)N(C(=O)NC2=O)C)Cl
CSc1nc2c(n1CC=C(Cl)C)c(=O)(nH)c(=O)n2C
InChI=1SC11H13ClN4O2Sc16(12)451678(1311(16)193)15(2)10(18)149(7)17h4H5H213H3(H141718)b64+
MFCD01557151
ZINC000004572652
ZINC04572652
ZINC4572652
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